Kellner M, Hörmann J, Fackler S, Hu Y, Zhou T, Lu L, Ilik I, Aktas T, Feederle R, Hauck SM, Gires O, Gärtner K, Li L, Zeidler R (2024) The Nuclear Speckles Protein SRRM2 Is Exposed on the Surface of Cancer Cells. Cells, Issue 18, Vol. 13 DOI: 10.3390/cells13181563, PubMed: 39329747 |
Banasik M, Napolitano V, Blat A, Abdulkarim K, Plewka J, Czaplewski C, Gieldon A, Kozak M, Wladyka B, Popowicz G, Dubin G (2024) Structural dynamics of the TPR domain of the peroxisomal cargo receptor Pex5 in Trypanosoma. International journal of biological macromolecules, 135510 DOI: 10.1016/j.ijbiomac.2024.135510, PubMed: 39304044 |
Freisem D, Rodriguez-Alfonso AA, Lawrenz J, Zhou Z, Monecke T, Preising N, Endres S, Wiese S, Ständker L, Kuan SL, Thal DR, Weil T, Niessing D, Barth H, Kirchhoff F, Harms M, Münch J, Sparrer KMJ (2024) A naturally occurring 22-amino acid fragment of human hemoglobin A inhibits autophagy and HIV-1. Cellular and molecular life sciences : CMLS, Issue 1, Vol. 81, 409 DOI: 10.1007/s00018-024-05447-1, PubMed: 39289189 |
Bussi G, Bonomi M, Gkeka P, Sattler M, Al-Hashimi HM, Auffinger P, Duca M, Foricher Y, Incarnato D, Jones AN, Kirmizialtin S, Krepl M, Orozco M, Palermo G, Pasquali S, Salmon L, Schwalbe H, Westhof E, Zacharias M (2024) RNA dynamics from experimental and computational approaches. Structure (London, England : 1993), Issue 9, Vol. 32, 1281-1287 DOI: 10.1016/j.str.2024.07.019, PubMed: 39241758 |
Kogut-Günthel MM, Zara Z, Nicoli A, Steuer A, Lopez-Balastegui M, Selent J, Karanth S, Koehler M, Ciancetta A, Abiko LA, Hagn F, Di Pizio A (2024) The path to the G protein-coupled receptor structural landscape: Major milestones and future directions. British journal of pharmacology DOI: 10.1111/bph.17314, PubMed: 39209310 |
Martínez-Lumbreras S, Morguet C, Sattler M (2024) Dynamic interactions drive early spliceosome assembly. Current opinion in structural biology, Vol. 88, 102907 DOI: 10.1016/j.sbi.2024.102907, PubMed: 39168044 |
Hildebrand MS, Braden RO, Lauretta ML, Kaspi A, Leventer RJ, Anderson M, Goel H, Bahlo M, Scheffer IE, Amor DJ, Janowski R, Niessing D, Morgan AT (2024) Inherited PURA Pathogenic Variant Associated With a Mild Neurodevelopmental Disorder. Neurology. Genetics, Issue 5, Vol. 10, e200181 DOI: 10.1212/NXG.0000000000200181, PubMed: 39131487 |
Rodina N, Sarkar R, Tsakalos D, Suladze S, Niu Z, Reif B (2024) Manual and automatic assignment of two different Aβ40 amyloid fibril polymorphs using MAS solid-state NMR spectroscopy. Biomolecular NMR assignments DOI: 10.1007/s12104-024-10189-z, PubMed: 39120652 |
Xu M, Ito-Kureha T, Kang HS, Chernev A, Raj T, Hoefig KP, Hohn C, Giesert F, Wang Y, Pan W, Ziętara N, Straub T, Feederle R, Daniel C, Adler B, König J, Feske S, Tsokos GC, Wurst W, Urlaub H, Sattler M, Kisielow J, Wulczyn FG, Łyszkiewicz M, Heissmeyer V (2024) Correction to "The thymocyte-specific RNA-binding protein Arpp21 provides TCR repertoire diversity by binding to the 3'-UTR and promoting Rag1 mRNA expression". Nature communications, Issue 1, Vol. 15, 6632 DOI: 10.1038/s41467-024-50610-8, PubMed: 39103338 |
Leitl KD, Sperl LE, Hagn F (2024) Preferred inhibition of pro-apoptotic Bak by BclxL via a two-step mechanism. Cell reports, Issue 8, Vol. 43, 114526 DOI: 10.1016/j.celrep.2024.114526, PubMed: 39046879 |
Lis K, Plewka J, Menezes F, Bielecka E, Chykunova Y, Pustelny K, Niebling S, Garcia AS, Garcia-Alai M, Popowicz GM, Nowak JS, Czarna A, Kantyka T, Pyrc K (2024) Corrigendum to "SARS-CoV-2 Mpro oligomerization as a potential target for therapy" [Int. J. Biol. Macromol. 267 (Part 1) (May 2024) 131392]. International journal of biological macromolecules, Issue Pt 1, Vol. 276, 133473 DOI: 10.1016/j.ijbiomac.2024.133473, PubMed: 39024924 |
Rodina N, Hornung S, Sarkar R, Suladze S, Peters C, Schmid PWN, Niu Z, Haslbeck M, Buchner J, Kapurniotu A, Reif B (2024) Modulation of Alzheimer's Disease Aβ40 Fibril Polymorphism by the Small Heat Shock Protein αB-Crystallin. Journal of the American Chemical Society, Issue 28, Vol. 146, 19077-19087 DOI: 10.1021/jacs.4c03504, PubMed: 38973199 |
Kohantorabi M, Ugolotti A, Sochor B, Roessler J, Wagstaffe M, Meinhardt A, Beck EE, Dolling DS, Garcia MB, Creutzburg M, Keller TF, Schwartzkopf M, Vayalil SK, Thuenauer R, Guédez G, Löw C, Ebert G, Protzer U, Hammerschmidt W, Zeidler R, Roth SV, Di Valentin C, Stierle A, Noei H (2024) Light-Induced Transformation of Virus-Like Particles on TiO2. ACS applied materials & interfaces, Issue 28, Vol. 16, 37275-37287 DOI: 10.1021/acsami.4c07151, PubMed: 38959130 |
McCalpin SD, Khemtemourian L, Suladze S, Ivanova MI, Reif B, Ramamoorthy A (2024) Zinc and pH modulate the ability of insulin to inhibit aggregation of islet amyloid polypeptide. Communications biology, Issue 1, Vol. 7, 776 DOI: 10.1038/s42003-024-06388-y, PubMed: 38937578 |
Liu N, O'Connor P, Gujrati V, Shelar D, Ma X, Anzenhofer P, Klemm U, Su X, Huang Y, Kleigrewe K, Feuchtinger A, Walch A, Sattler M, Plettenburg O, Ntziachristos V (2024) Tuning the photophysical properties of cyanine by barbiturate functionalization and nanoformulation for efficient optoacoustics- guided phototherapy. Journal of controlled release : official journal of the Controlled Release Society, Vol. 372, 522-530 DOI: 10.1016/j.jconrel.2024.06.037, PubMed: 38897293 |
Niu Z, Gui X, Feng S, Reif B (2024) Aggregation Mechanisms and Molecular Structures of Amyloid-β in Alzheimer's Disease. Chemistry (Weinheim an der Bergstrasse, Germany), Issue 48, Vol. 30, e202400277 DOI: 10.1002/chem.202400277, PubMed: 38888453 |
Suladze S, Sarkar R, Rodina N, Bokvist K, Krewinkel M, Scheps D, Nagel N, Bardiaux B, Reif B (2024) Atomic resolution structure of full-length human insulin fibrils. Proceedings of the National Academy of Sciences of the United States of America, Issue 23, Vol. 121, e2401458121 DOI: 10.1073/pnas.2401458121, PubMed: 38809711 |
Daniilidis M, Sperl LE, Müller BS, Babl A, Hagn F (2024) Efficient Segmental Isotope Labeling of Integral Membrane Proteins for High-Resolution NMR Studies. Journal of the American Chemical Society, Issue 22, Vol. 146, 15403-15410 DOI: 10.1021/jacs.4c03294, PubMed: 38787792 |
Tetko IV (2024) Tox24 Challenge. Chemical research in toxicology, Issue 6, Vol. 37, 825-826 DOI: 10.1021/acs.chemrestox.4c00192, PubMed: 38769907 |
Siebenmorgen T, Menezes F, Benassou S, Merdivan E, Didi K, Mourão ASD, Kitel R, Liò P, Kesselheim S, Piraud M, Theis FJ, Sattler M, Popowicz GM (2024) MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discovery. Nature computational science, Issue 5, Vol. 4, 367-378 DOI: 10.1038/s43588-024-00627-2, PubMed: 38730184 |
Suladze S, Sustay Martinez C, Rodriguez Camargo DC, Engler J, Rodina N, Sarkar R, Zacharias M, Reif B (2024) Structural Insights into Seeding Mechanisms of hIAPP Fibril Formation. Journal of the American Chemical Society, Issue 20, Vol. 146, 13783-13796 DOI: 10.1021/jacs.3c14233, PubMed: 38723619 |
Legen J, Lenzen B, Kachariya N, Feltgen S, Gao Y, Mergenthal S, Weber W, Klotzsch E, Zoschke R, Sattler M, Schmitz-Linneweber C (2024) A prion-like domain is required for phase separation and chloroplast RNA processing during cold acclimation in Arabidopsis. The Plant cell, Issue 8, Vol. 36, 2851-2872 DOI: 10.1093/plcell/koae145, PubMed: 38723165 |
Martínez-Lumbreras S, Träger LK, Mulorz MM, Payr M, Dikaya V, Hipp C, König J, Sattler M (2024) Intramolecular autoinhibition regulates the selectivity of PRPF40A tandem WW domains for proline-rich motifs. Nature communications, Issue 1, Vol. 15, 3888 DOI: 10.1038/s41467-024-48004-x, PubMed: 38719828 |
Proske M, Janowski R, Bacher S, Kang HS, Monecke T, Koehler T, Hutten S, Tretter J, Crois A, Molitor L, Varela-Rial A, Fino R, Donati E, De Fabritiis G, Dormann D, Sattler M, Niessing D (2024) PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association. eLife, Vol. 13 DOI: 10.7554/eLife.93561, PubMed: 38655849 |
Gaussmann S, Peschel R, Ott J, Zak KM, Sastre J, Delhommel F, Popowicz GM, Boekhoven J, Schliebs W, Erdmann R, Sattler M (2024) Modulation of peroxisomal import by the PEX13 SH3 domain and a proximal FxxxF binding motif. Nature communications, Issue 1, Vol. 15, 3317 DOI: 10.1038/s41467-024-47605-w, PubMed: 38632234 |
Chen YL, Jones AN, Crawford A, Sattler M, Ettinger A, Torres-Padilla ME (2024) Determinants of minor satellite RNA function in chromosome segregation in mouse embryonic stem cells. The Journal of cell biology, Issue 7, Vol. 223 DOI: 10.1083/jcb.202309027, PubMed: 38625077 |
Lis K, Plewka J, Menezes F, Bielecka E, Chykunova Y, Pustelny K, Niebling S, Garcia AS, Garcia-Alai M, Popowicz GM, Czarna A, Kantyka T, Pyrc K (2024) SARS-CoV-2 Mpro oligomerization as a potential target for therapy. International journal of biological macromolecules, Issue Pt 1, Vol. 267, 131392 DOI: 10.1016/j.ijbiomac.2024.131392, PubMed: 38582483 |
Hartog PBR, Krüger F, Genheden S, Tetko IV (2024) Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition. Journal of cheminformatics, Issue 1, Vol. 16, 39 DOI: 10.1186/s13321-024-00824-1, PubMed: 38576047 |
Klingelhuber F, Frendo-Cumbo S, Omar-Hmeadi M, Massier L, Kakimoto P, Taylor AJ, Couchet M, Ribicic S, Wabitsch M, Messias AC, Iuso A, Müller TD, Rydén M, Mejhert N, Krahmer N (2024) A spatiotemporal proteomic map of human adipogenesis. Nature metabolism, Issue 5, Vol. 6, 861-879 DOI: 10.1038/s42255-024-01025-8, PubMed: 38565923 |
Matsuda A, Plewka J, Rawski M, Mourão A, Zajko W, Siebenmorgen T, Kresik L, Lis K, Jones AN, Pachota M, Karim A, Hartman K, Nirwal S, Sonani R, Chykunova Y, Minia I, Mak P, Landthaler M, Nowotny M, Dubin G, Sattler M, Suder P, Popowicz GM, Pyrć K, Czarna A (2024) Despite the odds: formation of the SARS-CoV-2 methylation complex. Nucleic acids research, Issue 11, Vol. 52, 6441-6458 DOI: 10.1093/nar/gkae165, PubMed: 38499483 |
Xu M, Ito-Kureha T, Kang HS, Chernev A, Raj T, Hoefig KP, Hohn C, Giesert F, Wang Y, Pan W, Ziętara N, Straub T, Feederle R, Daniel C, Adler B, König J, Feske S, Tsokos GC, Wurst W, Urlaub H, Sattler M, Kisielow J, Wulczyn FG, Łyszkiewicz M, Heissmeyer V (2024) The thymocyte-specific RNA-binding protein Arpp21 provides TCR repertoire diversity by binding to the 3'-UTR and promoting Rag1 mRNA expression. Nature communications, Issue 1, Vol. 15, 2194 DOI: 10.1038/s41467-024-46371-z, PubMed: 38467629 |
Sturla S, Dai J, Kraegeloh A, Normura D, Tetko I, Wang Y, Serrano J (2024) Invitation to Apply or Nominate for Membership in the Early Career Board of Chemical Research in Toxicology. Chemical research in toxicology, Issue 2, Vol. 37, 127-128 DOI: 10.1021/acs.chemrestox.3c00415, PubMed: 38369925 |
Sang CC, Moore G, Tereshchenko M, Nosella ML, Zhang H, Alderson TR, Dasovich M, Leung A, Finkelstein IJ, Forman-Kay JD, Lee HO (2024) PARP1 condensates differentially partition DNA repair proteins and enhance DNA ligation. bioRxiv : the preprint server for biology DOI: 10.1101/2024.01.20.575817, PubMed: 38328070 |
Hunklinger A, Hartog P, Šícho M, Godin G, Tetko IV (2024) The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge. SLAS discovery : advancing life sciences R & D, Issue 2, Vol. 29, 100144 DOI: 10.1016/j.slasd.2024.01.005, PubMed: 38316342 |
Roca-Martínez J, Kang HS, Sattler M, Vranken W (2024) Analysis of the inter-domain orientation of tandem RRM domains with diverse linkers: connecting experimental with AlphaFold2 predicted models. NAR genomics and bioinformatics, Issue 1, Vol. 6, lqae002 DOI: 10.1093/nargab/lqae002, PubMed: 38288375 |
Witzenberger M, Janowski R, Niessing D (2024) Crystal structure of the RNA-recognition motif of Drosophila melanogaster tRNA (uracil-5-)-methyltransferase homolog A. Acta crystallographica. Section F, Structural biology communications, Issue Pt 2, Vol. 80, 36-42 DOI: 10.1107/S2053230X24000645, PubMed: 38270511 |
Theobald SJ, Fiestas E, Schneider A, Ostermann B, Danisch S, von Kaisenberg C, Rybniker J, Hammerschmidt W, Zeidler R, Stripecke R (2023) Fully Human Herpesvirus-Specific Neutralizing IgG Antibodies Generated by EBV Immortalization of Splenocytes-Derived from Immunized Humanized Mice. Cells, Issue 1, Vol. 13 DOI: 10.3390/cells13010020, PubMed: 38201224 |
Giehler F, Ostertag MS, Sommermann T, Weidl D, Sterz KR, Kutz H, Moosmann A, Feller SM, Geerlof A, Biesinger B, Popowicz GM, Kirchmair J, Kieser A (2024) Epstein-Barr virus-driven B cell lymphoma mediated by a direct LMP1-TRAF6 complex. Nature communications, Issue 1, Vol. 15, 414 DOI: 10.1038/s41467-023-44455-w, PubMed: 38195569 |
Lewinski M, Steffen A, Kachariya N, Elgner M, Schmal C, Messini N, Köster T, Reichel M, Sattler M, Zarnack K, Staiger D (2024) Arabidopsis thaliana GLYCINE RICH RNA-BINDING PROTEIN 7 interaction with its iCLIP target LHCB1.1 correlates with changes in RNA stability and circadian oscillation. The Plant journal : for cell and molecular biology, Issue 1, Vol. 118, 203-224 DOI: 10.1111/tpj.16601, PubMed: 38124335 |
Voinarovska V, Kabeshov M, Dudenko D, Genheden S, Tetko IV (2024) When Yield Prediction Does Not Yield Prediction: An Overview of the Current Challenges. Journal of chemical information and modeling, Issue 1, Vol. 64, 42-56 DOI: 10.1021/acs.jcim.3c01524, PubMed: 38116926 |
Aretz J, Aziz M, Strohmeyer N, Sattler M, Fässler R (2023) Talin and kindlin use integrin tail allostery and direct binding to activate integrins. Nature structural & molecular biology, Issue 12, Vol. 30, 1913-1924 DOI: 10.1038/s41594-023-01139-9, PubMed: 38087085 |
Sever AIM, Alderson TR, Rennella E, Aramini JM, Liu ZH, Harkness RW, Kay LE (2023) Activation of caspase-9 on the apoptosome as studied by methyl-TROSY NMR. Proceedings of the National Academy of Sciences of the United States of America, Issue 51, Vol. 120, e2310944120 DOI: 10.1073/pnas.2310944120, PubMed: 38085782 |
Fukumura K, Sperotto L, Seuß S, Kang HS, Yoshimoto R, Sattler M, Mayeda A (2023) SAP30BP interacts with RBM17/SPF45 to promote splicing in a subset of human short introns. Cell reports, Issue 12, Vol. 42, 113534 DOI: 10.1016/j.celrep.2023.113534, PubMed: 38065098 |
Higuera-Rodriguez RA, De Pascali MC, Aziz M, Sattler M, Rant U, Kaiser W (2023) Kinetic FRET Assay to Measure Binding-Induced Conformational Changes of Nucleic Acids. ACS sensors, Issue 12, Vol. 8, 4597-4606 DOI: 10.1021/acssensors.3c01527, PubMed: 38060303 |
Kitel R, Surmiak E, Borggräfe J, Kalinowska-Tluscik J, Golik P, Czub M, Uzar W, Musielak B, Madej M, Popowicz GM, Dubin G, Holak TA (2023) Discovery of Inhibitory Fragments That Selectively Target Spire2-FMN2 Interaction. Journal of medicinal chemistry, Issue 23, Vol. 66, 15715-15727 DOI: 10.1021/acs.jmedchem.3c00877, PubMed: 38039505 |
Roessler J, Pich D, Krähling V, Becker S, Keppler OT, Zeidler R, Hammerschmidt W (2023) SARS-CoV-2 and Epstein-Barr Virus-like Particles Associate and Fuse with Extracellular Vesicles in Virus Neutralization Tests. Biomedicines, Issue 11, Vol. 11 DOI: 10.3390/biomedicines11112892, PubMed: 38001893 |
Nakamura T, Mishima E, Yamada N, Mourão ASD, Trümbach D, Doll S, Wanninger J, Lytton E, Sennhenn P, Nishida Xavier da Silva T, Angeli JPF, Sattler M, Proneth B, Conrad M (2023) Integrated chemical and genetic screens unveil FSP1 mechanisms of ferroptosis regulation. Nature structural & molecular biology, Issue 11, Vol. 30, 1806-1815 DOI: 10.1038/s41594-023-01136-y, PubMed: 37957306 |
Šmelko A, Blahut J, Reif B, Tošner Z (2023) Performance of the cross-polarization experiment in conditions of radiofrequency field inhomogeneity and slow to ultrafast magic angle spinning (MAS). Magnetic resonance (Gottingen, Germany), Issue 2, Vol. 4, 199-215 DOI: 10.5194/mr-4-199-2023, PubMed: 37904859 |
Alderson TR, Pritišanac I, Kolarić Đ, Moses AM, Forman-Kay JD (2023) Systematic identification of conditionally folded intrinsically disordered regions by AlphaFold2. Proceedings of the National Academy of Sciences of the United States of America, Issue 44, Vol. 120, e2304302120 DOI: 10.1073/pnas.2304302120, PubMed: 37878721 |
Pustelny K, Grygier P, Barzowska A, Pucelik B, Matsuda A, Mrowiec K, Slugocka E, Popowicz GM, Dubin G, Czarna A (2023) Binding mechanism and biological effects of flavone DYRK1A inhibitors for the design of new antidiabetics. Scientific reports, Issue 1, Vol. 13, 18114 DOI: 10.1038/s41598-023-44810-3, PubMed: 37872245 |
Aschenbrenner I, Siebenmorgen T, Lopez A, Parr M, Ruckgaber P, Kerle A, Rührnößl F, Catici D, Haslbeck M, Frishman D, Sattler M, Zacharias M, Feige MJ (2023) Assembly-dependent Structure Formation Shapes Human Interleukin-23 versus Interleukin-12 Secretion. Journal of molecular biology, Issue 23, Vol. 435, 168300 DOI: 10.1016/j.jmb.2023.168300, PubMed: 37805067 |
Vincenzi M, Kremić A, Jouve A, Lattanzi R, Miele R, Benharouga M, Alfaidy N, Migrenne-Li S, Kanthasamy AG, Porcionatto M, Ferrara N, Tetko IV, Désaubry L, Nebigil CG (2023) Therapeutic Potential of Targeting Prokineticin Receptors in Diseases. Pharmacological reviews, Issue 6, Vol. 75, 1167-1199 DOI: 10.1124/pharmrev.122.000801, PubMed: 37684054 |
Roll W, Müther M, Böning G, Delker A, Warneke N, Gildehaus FJ, Schäfers M, Stummer W, Zeidler R, Reulen HJ, Stegger L (2023) First clinical experience with fractionated intracavitary radioimmunotherapy using [177Lu]Lu-6A10-Fab fragments in patients with glioblastoma: a pilot study. EJNMMI research, Issue 1, Vol. 13, 78 DOI: 10.1186/s13550-023-01029-7, PubMed: 37665396 |
Menezes F, Popowicz GM (2023) When catchers meet - a computational study on the dimerization of the Buckycatcher. Physical chemistry chemical physics : PCCP, Issue 35, Vol. 25, 24031-24041 DOI: 10.1039/d3cp02903d, PubMed: 37646477 |
Shi E, Wu Z, Karaoglan BS, Schwenk-Zieger S, Kranz G, Abdul Razak N, Reichel CA, Canis M, Baumeister P, Zeidler R, Gires O (2023) 5'-Ectonucleotidase CD73/NT5E supports EGFR-mediated invasion of HPV-negative head and neck carcinoma cells. Journal of biomedical science, Issue 1, Vol. 30, 72 DOI: 10.1186/s12929-023-00968-6, PubMed: 37620936 |
Klambauer G, Clevert DA, Shah I, Benfenati E, Tetko IV (2023) Introduction to the Special Issue: AI Meets Toxicology. Chemical research in toxicology, Issue 8, Vol. 36, 1163-1167 DOI: 10.1021/acs.chemrestox.3c00217, PubMed: 37599584 |
Enders L, Siklos M, Borggräfe J, Gaussmann S, Koren A, Malik M, Tomek T, Schuster M, Reiniš J, Hahn E, Rukavina A, Reicher A, Casteels T, Bock C, Winter GE, Hannich JT, Sattler M, Kubicek S (2023) Pharmacological perturbation of the phase-separating protein SMNDC1. Nature communications, Issue 1, Vol. 14, 4504 DOI: 10.1038/s41467-023-40124-0, PubMed: 37587144 |
Ebersberger S, Hipp C, Mulorz MM, Buchbender A, Hubrich D, Kang HS, Martínez-Lumbreras S, Kristofori P, Sutandy FXR, Llacsahuanga Allcca L, Schönfeld J, Bakisoglu C, Busch A, Hänel H, Tretow K, Welzel M, Di Liddo A, Möckel MM, Zarnack K, Ebersberger I, Legewie S, Luck K, Sattler M, König J (2023) FUBP1 is a general splicing factor facilitating 3' splice site recognition and splicing of long introns. Molecular cell, Issue 15, Vol. 83, 2653-2672.e15 DOI: 10.1016/j.molcel.2023.07.002, PubMed: 37506698 |
Troisi R, Napolitano V, Rossitto E, Osman W, Nagano M, Wakui K, Popowicz GM, Yoshimoto K, Sica F (2023) Steric hindrance and structural flexibility shape the functional properties of a guanine-rich oligonucleotide. Nucleic acids research, Issue 16, Vol. 51, 8880-8890 DOI: 10.1093/nar/gkad634, PubMed: 37503836 |
Soni K, Jagtap PKA, Martínez-Lumbreras S, Bonnal S, Geerlof A, Stehle R, Simon B, Valcárcel J, Sattler M (2023) Structural basis for specific RNA recognition by the alternative splicing factor RBM5. Nature communications, Issue 1, Vol. 14, 4233 DOI: 10.1038/s41467-023-39961-w, PubMed: 37454201 |
Vistoli G, Manelfi C, Talarico C, Fava A, Warshel A, Tetko IV, Apostolov R, Ye Y, Latini C, Ficarelli F, Palermo G, Gadioli D, Vitali E, Varriale G, Pisapia V, Scaturro M, Coletti S, Gregori D, Gruffat D, Leija E, Hessenauer S, Delbianco A, Allegretti M, Beccari AR (2023) MEDIATE - Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions. Expert opinion on drug discovery, Issue 8, Vol. 18, 821-833 DOI: 10.1080/17460441.2023.2221025, PubMed: 37424369 |
Marciniak M, Mróz P, Napolitano V, Kalel VC, Fino R, Pykacz E, Schliebs W, Plettenburg O, Erdmann R, Sattler M, Popowicz GM, Dawidowski M (2023) Development of novel PEX5-PEX14 protein-protein interaction (PPI) inhibitors based on an oxopiperazine template. European journal of medicinal chemistry, Vol. 258, 115587 DOI: 10.1016/j.ejmech.2023.115587, PubMed: 37406382 |
Witzenberger M, Burczyk S, Settele D, Mayer W, Welp LM, Heiss M, Wagner M, Monecke T, Janowski R, Carell T, Urlaub H, Hauck SM, Voigt A, Niessing D (2023) Human TRMT2A methylates tRNA and contributes to translation fidelity. Nucleic acids research, Issue 16, Vol. 51, 8691-8710 DOI: 10.1093/nar/gkad565, PubMed: 37395448 |
Nakamura T, Hipp C, Santos Dias Mourão A, Borggräfe J, Aldrovandi M, Henkelmann B, Wanninger J, Mishima E, Lytton E, Emler D, Proneth B, Sattler M, Conrad M (2023) Phase separation of FSP1 promotes ferroptosis. Nature, Issue 7969, Vol. 619, 371-377 DOI: 10.1038/s41586-023-06255-6, PubMed: 37380771 |
Pradhan T, Sarkar R, Meighen-Berger KM, Feige MJ, Zacharias M, Reif B (2023) Mechanistic insights into the aggregation pathway of the patient-derived immunoglobulin light chain variable domain protein FOR005. Nature communications, Issue 1, Vol. 14, 3755 DOI: 10.1038/s41467-023-39280-0, PubMed: 37353525 |
Calonaci N, Bernetti M, Jones A, Sattler M, Bussi G (2023) Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments. Journal of chemical theory and computation, Issue 12, Vol. 19, 3672-3685 DOI: 10.1021/acs.jctc.3c00084, PubMed: 37288967 |
Günsel U, Klöpfer K, Häusler E, Hitzenberger M, Bölter B, Sperl LE, Zacharias M, Soll J, Hagn F (2023) Structural basis of metabolite transport by the chloroplast outer envelope channel OEP21. Nature structural & molecular biology, Issue 6, Vol. 30, 761-769 DOI: 10.1038/s41594-023-00984-y, PubMed: 37156968 |
Mohamadi M, Goricanec D, Wagner G, Hagn F (2023) NMR sample optimization and backbone assignment of a stabilized neurotensin receptor. Journal of structural biology, Issue 2, Vol. 215, 107970 DOI: 10.1016/j.jsb.2023.107970, PubMed: 37142193 |
Svilenov HL, Delhommel F, Siebenmorgen T, Rührnößl F, Popowicz GM, Reiter A, Sattler M, Brockmeyer C, Buchner J (2023) Extrinsic stabilization of antiviral ACE2-Fc fusion proteins targeting SARS-CoV-2. Communications biology, Issue 1, Vol. 6, 386 DOI: 10.1038/s42003-023-04762-w, PubMed: 37031320 |
Menezes F, Popowicz GM (2023) A Buckycatcher in Solution-A Computational Perspective. Molecules (Basel, Switzerland), Issue 6, Vol. 28 DOI: 10.3390/molecules28062841, PubMed: 36985812 |
Agam G, Gebhardt C, Popara M, Mächtel R, Folz J, Ambrose B, Chamachi N, Chung SY, Craggs TD, de Boer M, Grohmann D, Ha T, Hartmann A, Hendrix J, Hirschfeld V, Hübner CG, Hugel T, Kammerer D, Kang HS, Kapanidis AN, Krainer G, Kramm K, Lemke EA, Lerner E, Margeat E, Martens K, Michaelis J, Mitra J, Moya Muñoz GG, Quast RB, Robb NC, Sattler M, Schlierf M, Schneider J, Schröder T, Sefer A, Tan PS, Thurn J, Tinnefeld P, van Noort J, Weiss S, Wendler N, Zijlstra N, Barth A, Seidel CAM, Lamb DC, Cordes T (2023) Reliability and accuracy of single-molecule FRET studies for characterization of structural dynamics and distances in proteins. Nature methods, Issue 4, Vol. 20, 523-535 DOI: 10.1038/s41592-023-01807-0, PubMed: 36973549 |
Escher BI, Altenburger R, Blüher M, Colbourne JK, Ebinghaus R, Fantke P, Hein M, Köck W, Kümmerer K, Leipold S, Li X, Scheringer M, Scholz S, Schloter M, Schweizer PJ, Tal T, Tetko I, Traidl-Hoffmann C, Wick LY, Fenner K (2023) Modernizing persistence-bioaccumulation-toxicity (PBT) assessment with high throughput animal-free methods. Archives of toxicology, Issue 5, Vol. 97, 1267-1283 DOI: 10.1007/s00204-023-03485-5, PubMed: 36952002 |
Grygier P, Pustelny K, Nowak J, Golik P, Popowicz GM, Plettenburg O, Dubin G, Menezes F, Czarna A (2023) Silmitasertib (CX-4945), a Clinically Used CK2-Kinase Inhibitor with Additional Effects on GSK3β and DYRK1A Kinases: A Structural Perspective. Journal of medicinal chemistry, Issue 6, Vol. 66, 4009-4024 DOI: 10.1021/acs.jmedchem.2c01887, PubMed: 36883902 |
Weller M, Sattler M, Rant U (2023) Development of an aptamer-based screening for identification and characterization of novel RNA therapeutics using switchSENSE® technology. Biophysical journal, Issue 3S1, Vol. 122, 357a DOI: 10.1016/j.bpj.2022.11.1974, PubMed: 36783808 |
Roca-Martínez J, Dhondge H, Sattler M, Vranken WF (2023) Deciphering the RRM-RNA recognition code: A computational analysis. PLoS computational biology, Issue 1, Vol. 19, e1010859 DOI: 10.1371/journal.pcbi.1010859, PubMed: 36689472 |
Gui X, Feng S, Li Z, Li Y, Reif B, Shi B, Niu Z (2023) Liquid-liquid phase separation of amyloid-β oligomers modulates amyloid fibrils formation. The Journal of biological chemistry, Issue 3, Vol. 299, 102926 DOI: 10.1016/j.jbc.2023.102926, PubMed: 36682493 |
Zanuttigh E, Derderian K, Güra MA, Geerlof A, Di Meo I, Cavestro C, Hempfling S, Ortiz-Collazos S, Mauthe M, Kmieć T, Cammarota E, Panzeri MC, Klopstock T, Sattler M, Winkelmann J, Messias AC, Iuso A (2023) Identification of Autophagy as a Functional Target Suitable for the Pharmacological Treatment of Mitochondrial Membrane Protein-Associated Neurodegeneration (MPAN) In Vitro. Pharmaceutics, Issue 1, Vol. 15 DOI: 10.3390/pharmaceutics15010267, PubMed: 36678896 |
Molitor L, Klostermann M, Bacher S, Merl-Pham J, Spranger N, Burczyk S, Ketteler C, Rusha E, Tews D, Pertek A, Proske M, Busch A, Reschke S, Feederle R, Hauck SM, Blum H, Drukker M, Fischer-Posovszky P, König J, Zarnack K, Niessing D (2023) Depletion of the RNA-binding protein PURA triggers changes in posttranscriptional gene regulation and loss of P-bodies. Nucleic acids research, Issue 3, Vol. 51, 1297-1316 DOI: 10.1093/nar/gkac1237, PubMed: 36651277 |
Delhommel F, Martínez-Lumbreras S, Sattler M (2023) Combining NMR, SAXS and SANS to characterize the structure and dynamics of protein complexes. Methods in enzymology, Vol. 678, 263-297 DOI: 10.1016/bs.mie.2022.09.020, PubMed: 36641211 |
Keil P, Wulf A, Kachariya N, Reuscher S, Hühn K, Silbern I, Altmüller J, Keller M, Stehle R, Zarnack K, Sattler M, Urlaub H, Sträßer K (2023) Npl3 functions in mRNP assembly by recruitment of mRNP components to the transcription site and their transfer onto the mRNA. Nucleic acids research, Issue 2, Vol. 51, 831-851 DOI: 10.1093/nar/gkac1206, PubMed: 36583366 |
Chora AF, Pedroso D, Kyriakou E, Pejanovic N, Colaço H, Gozzelino R, Barros A, Willmann K, Velho T, Moita CF, Santos I, Pereira P, Carvalho S, Martins FB, Ferreira JA, de Almeida SF, Benes V, Anrather J, Weis S, Soares MP, Geerlof A, Neefjes J, Sattler M, Messias AC, Neves-Costa A, Moita LF (2022) DNA damage independent inhibition of NF-κB transcription by anthracyclines. eLife, Vol. 11 DOI: 10.7554/eLife.77443, PubMed: 36476511 |
Gopalswamy M, Zheng C, Gaussmann S, Kooshapur H, Hambruch E, Schliebs W, Erdmann R, Antes I, Sattler M (2023) Distinct conformational and energetic features define the specific recognition of (di)aromatic peptide motifs by PEX14. Biological chemistry, Issue 2-3, Vol. 404, 179-194 DOI: 10.1515/hsz-2022-0177, PubMed: 36437542 |
Roessler J, Pich D, Albanese M, Wratil PR, Krähling V, Hellmuth JC, Scherer C, von Bergwelt-Baildon M, Becker S, Keppler OT, Brisson A, Zeidler R, Hammerschmidt W (2022) Quantitation of SARS-CoV-2 neutralizing antibodies with a virus-free, authentic test. PNAS nexus, Issue 2, Vol. 1 DOI: 10.1093/pnasnexus/pgac045, PubMed: 36382127 |
Daniilidis M, Brandl MJ, Hagn F (2022) The Advanced Properties of Circularized MSP Nanodiscs Facilitate High-resolution NMR Studies of Membrane Proteins. Journal of molecular biology, Issue 24, Vol. 434, 167861 DOI: 10.1016/j.jmb.2022.167861, PubMed: 36273602 |
Narayanan D, Tran KT, Pallesen JS, Solbak SMØ, Qin Y, Mukminova E, Luchini M, Vasilyeva KO, González Chichón D, Goutsiou G, Poulsen C, Haapanen N, Popowicz GM, Sattler M, Olagnier D, Gajhede M, Bach A (2022) Development of Noncovalent Small-Molecule Keap1-Nrf2 Inhibitors by Fragment-Based Drug Discovery. Journal of medicinal chemistry, Issue 21, Vol. 65, 14481-14526 DOI: 10.1021/acs.jmedchem.2c00830, PubMed: 36263945 |
Napolitano V, Mróz P, Marciniak M, Kalel VC, Softley CA, Janna Olmos JD, Tippler BG, Schorpp K, Rioton S, Fröhlich T, Plettenburg O, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dawidowski M, Dubin G (2022) Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma. European journal of medicinal chemistry, Vol. 243, 114778 DOI: 10.1016/j.ejmech.2022.114778, PubMed: 36194937 |
Xue K, Sarkar R, Tošner Z, Reif B (2022) Field and magic angle spinning frequency dependence of proton resonances in rotating solids. Progress in nuclear magnetic resonance spectroscopy, Vol. 130-131, 47-61 DOI: 10.1016/j.pnmrs.2022.04.001, PubMed: 36113917 |
Blahut J, Brandl MJ, Pradhan T, Reif B, Tošner Z (2022) Sensitivity-Enhanced Multidimensional Solid-State NMR Spectroscopy by Optimal-Control-Based Transverse Mixing Sequences. Journal of the American Chemical Society, Issue 38, Vol. 144, 17336-17340 DOI: 10.1021/jacs.2c06568, PubMed: 36074981 |
Kitel R, Rodríguez I, Del Corte X, Atmaj J, Żarnik M, Surmiak E, Muszak D, Magiera-Mularz K, Popowicz GM, Holak TA, Musielak B (2022) Exploring the Surface of the Ectodomain of the PD-L1 Immune Checkpoint with Small-Molecule Fragments. ACS chemical biology, Issue 9, Vol. 17, 2655-2663 DOI: 10.1021/acschembio.2c00583, PubMed: 36073782 |
Napolitano V, Softley CA, Blat A, Kalel VC, Schorpp K, Siebenmorgen T, Hadian K, Erdmann R, Sattler M, Popowicz GM, Dubin G (2022) Small molecule mediated inhibition of protein cargo recognition by peroxisomal transport receptor PEX5 is toxic to Trypanosoma. Scientific reports, Issue 1, Vol. 12, 14705 DOI: 10.1038/s41598-022-18841-1, PubMed: 36038611 |
Kreft L, Schepers A, Hils M, Swiontek K, Flatley A, Janowski R, Mirzaei MK, Dittmar M, Chakrapani N, Desai MS, Eyerich S, Deng L, Niessing D, Fischer K, Feederle R, Blank S, Schmidt-Weber CB, Hilger C, Biedermann T, Ohnmacht C (2022) A novel monoclonal IgG1 antibody specific for Galactose-alpha-1,3-galactose questions alpha-Gal epitope expression by bacteria. Frontiers in immunology, Vol. 13, 958952 DOI: 10.3389/fimmu.2022.958952, PubMed: 35990627 |
Tetko IV, Klambauer G, Clevert DA, Shah I, Benfenati E (2022) Artificial Intelligence Meets Toxicology. Chemical research in toxicology, Issue 8, Vol. 35, 1289-1290 DOI: 10.1021/acs.chemrestox.2c00196, PubMed: 35965447 |
Menezes F, Popowicz GM (2022) ULYSSES: An Efficient and Easy to Use Semiempirical Library for C+. Journal of chemical information and modeling, Issue 16, Vol. 62, 3685-3694 DOI: 10.1021/acs.jcim.2c00757, PubMed: 35930308 |
Sundaria A, Liberta F, Savran D, Sarkar R, Rodina N, Peters C, Schwierz N, Haupt C, Schmidt M, Reif B (2022) SAA fibrils involved in AA amyloidosis are similar in bulk and by single particle reconstitution: A MAS solid-state NMR study. Journal of structural biology: X, Vol. 6, 100069 DOI: 10.1016/j.yjsbx.2022.100069, PubMed: 35924280 |
Jones AN, Graß C, Meininger I, Geerlof A, Klostermann M, Zarnack K, Krappmann D, Sattler M (2022) Modulation of pre-mRNA structure by hnRNP proteins regulates alternative splicing of MALT1. Science advances, Issue 31, Vol. 8, eabp9153 DOI: 10.1126/sciadv.abp9153, PubMed: 35921415 |
Hiepp L, Mayr D, Gärtner K, Schmoeckel E, Klauschen F, Burges A, Mahner S, Zeidler R, Czogalla B (2022) Carbonic anhydrase XII as biomarker and therapeutic target in ovarian carcinomas. PloS one, Issue 7, Vol. 17, e0271630 DOI: 10.1371/journal.pone.0271630, PubMed: 35901081 |
Menezes F, Popowicz GM (2022) Acid Rain and Flue Gas: Quantum Chemical Hydrolysis of NO2. Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 21, Vol. 23, e202200395 DOI: 10.1002/cphc.202200395, PubMed: 35875889 |
Nguyen A, Gemmecker G, Softley CA, Movsisyan LD, Pfaffeneder T, Heine A, Reuter K, Diederich F, Sattler M, Klebe G (2022) 19F-NMR Unveils the Ligand-Induced Conformation of a Catalytically Inactive Twisted Homodimer of tRNA-Guanine Transglycosylase. ACS chemical biology, Issue 7, Vol. 17, 1745-1755 DOI: 10.1021/acschembio.2c00080, PubMed: 35763700 |
Jones AN, Walbrun A, Falleroni F, Rief M, Sattler M (2022) Conformational Effects of a Cancer-Linked Mutation in Pri-miR-30c RNA. Journal of molecular biology, Issue 18, Vol. 434, 167705 DOI: 10.1016/j.jmb.2022.167705, PubMed: 35760371 |
Mohid SA, Biswas K, Won T, Mallela LS, Gucchait A, Butzke L, Sarkar R, Barkham T, Reif B, Leipold E, Roy S, Misra AK, Lakshminarayanan R, Lee D, Bhunia A (2022) Structural insights into the interaction of antifungal peptides and ergosterol containing fungal membrane. Biochimica et biophysica acta. Biomembranes, Issue 10, Vol. 1864, 183996 DOI: 10.1016/j.bbamem.2022.183996, PubMed: 35753394 |
Menezes F, Popowicz GM (2022) How to Catch the Ball: Fullerene Binding to the Corannulene Pincer. Molecules (Basel, Switzerland), Issue 12, Vol. 27 DOI: 10.3390/molecules27123838, PubMed: 35744963 |
Opdensteinen P, Sperl LE, Mohamadi M, Kündgen-Redding N, Hagn F, Buyel JF (2022) The transient expression of recombinant proteins in plant cell packs facilitates stable isotope labelling for NMR spectroscopy. Plant biotechnology journal, Issue 10, Vol. 20, 1928-1939 DOI: 10.1111/pbi.13873, PubMed: 35702941 |
Jones AN, Mourão A, Czarna A, Matsuda A, Fino R, Pyrc K, Sattler M, Popowicz GM (2022) Characterization of SARS-CoV-2 replication complex elongation and proofreading activity. Scientific reports, Issue 1, Vol. 12, 9593 DOI: 10.1038/s41598-022-13380-1, PubMed: 35688849 |
Jussupow A, Lopez A, Baumgart M, Mader SL, Sattler M, Kaila VRI (2022) Extended conformational states dominate the Hsp90 chaperone dynamics. The Journal of biological chemistry, Issue 7, Vol. 298, 102101 DOI: 10.1016/j.jbc.2022.102101, PubMed: 35667441 |
Czarna A, Plewka J, Kresik L, Matsuda A, Karim A, Robinson C, O'Byrne S, Cunningham F, Georgiou I, Wilk P, Pachota M, Popowicz G, Wyatt PG, Dubin G, Pyrć K (2022) Refolding of lid subdomain of SARS-CoV-2 nsp14 upon nsp10 interaction releases exonuclease activity. Structure (London, England : 1993), Issue 8, Vol. 30, 1050-1054.e2 DOI: 10.1016/j.str.2022.04.014, PubMed: 35609600 |
Spreitzer E, Alderson TR, Bourgeois B, Eggenreich L, Habacher H, Brahmersdorfer G, Pritišanac I, Sánchez-Murcia PA, Madl T (2022) FOXO transcription factors differ in their dynamics and intra/intermolecular interactions. Current research in structural biology, Vol. 4, 118-133 DOI: 10.1016/j.crstbi.2022.04.001, PubMed: 35573459 |
Karlov DS, Sosnin S, Tetko IV, Fedorov MV (2019) Chemical space exploration guided by deep neural networks. RSC advances, Issue 9, Vol. 9, 5151-5157 DOI: 10.1039/c8ra10182e, PubMed: 35514634 |
Popowicz GM, Pyrc K, Hadian K (2022) Vaccination versus SARS-CoV-2 Omicron: three vaccine doses win the battle. Signal transduction and targeted therapy, Issue 1, Vol. 7, 140 DOI: 10.1038/s41392-022-01000-3, PubMed: 35477929 |
Kellner M, von Neubeck B, Czogalla B, Feederle R, Vick B, Jeremias I, Zeidler R (2022) A Novel Anti-CD73 Antibody That Selectively Inhibits Membrane CD73 Shows Antitumor Activity and Induces Tumor Immune Escape. Biomedicines, Issue 4, Vol. 10 DOI: 10.3390/biomedicines10040825, PubMed: 35453575 |
Metelytsia LO, Hodyna DM, Semenyuta IV, Kovalishyn VV, Rogalsky SP, Derevianko KY, Brovarets VS, Tetko IV (2022) Theoretical and Experimental Studies of Phosphonium Ionic Liquids as Potential Antibacterials of MDR Acinetobacter baumannii. Antibiotics (Basel, Switzerland), Issue 4, Vol. 11 DOI: 10.3390/antibiotics11040491, PubMed: 35453241 |
Jessberger N, Diedrich R, Janowski R, Niessing D, Märtlbauer E (2022) Presence and function of Hbl B', the fourth protein component encoded by the hbl operon in Bacillus cereus. Virulence, Issue 1, Vol. 13, 483-501 DOI: 10.1080/21505594.2022.2046951, PubMed: 35291913 |
Kogan PS, Wirth F, Tomar A, Darr J, Teperino R, Lahm H, Dreßen M, Puluca N, Zhang Z, Neb I, Beck N, Luzius T, de la Osa de la Rosa L, Gärtner K, Hüls C, Zeidler R, Ramanujam D, Engelhardt S, Wenk C, Holdt LM, Mononen M, Sahara M, Cleuziou J, Hörer J, Lange R, Krane M, Doppler SA (2022) Uncovering the molecular identity of cardiosphere-derived cells (CDCs) by single-cell RNA sequencing. Basic research in cardiology, Issue 1, Vol. 117, 11 DOI: 10.1007/s00395-022-00913-y, PubMed: 35258704 |
Schuhmann P, Engstler C, Klöpfer K, Gügel IL, Abbadi A, Dreyer F, Leckband G, Bölter B, Hagn F, Soll J, Carrie C (2022) Two wrongs make a right: heat stress reversion of a male-sterile Brassica napus line. Journal of experimental botany, Issue 11, Vol. 73, 3531-3551 DOI: 10.1093/jxb/erac082, PubMed: 35226731 |
Zinngrebe J, Moepps B, Monecke T, Gierschik P, Schlichtig F, Barth TFE, Strauß G, Boldrin E, Posovszky C, Schulz A, Beringer O, Rieser E, Jacobsen EM, Lorenz MR, Schwarz K, Pannicke U, Walczak H, Niessing D, Schuetz C, Fischer-Posovszky P, Debatin KM (2022) Compound heterozygous variants in OTULIN are associated with fulminant atypical late-onset ORAS. EMBO molecular medicine, Issue 3, Vol. 14, e14901 DOI: 10.15252/emmm.202114901, PubMed: 35170849 |
Jones AN, Tikhaia E, Mourão A, Sattler M (2022) Structural effects of m6A modification of the Xist A-repeat AUCG tetraloop and its recognition by YTHDC1. Nucleic acids research, Issue 4, Vol. 50, 2350-2362 DOI: 10.1093/nar/gkac080, PubMed: 35166835 |
Rusanov AI, Dmitrieva OA, Mamardashvili NZ, Tetko IV (2022) More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins. International journal of molecular sciences, Issue 3, Vol. 23 DOI: 10.3390/ijms23031201, PubMed: 35163123 |
Margreiter MA, Witzenberger M, Wasser Y, Davydova E, Janowski R, Metz J, Habib P, Sahnoun SEM, Sobisch C, Poma B, Palomino-Hernandez O, Wagner M, Carell T, Jon Shah N, Schulz JB, Niessing D, Voigt A, Rossetti G (2022) Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death. Computational and structural biotechnology journal, Vol. 20, 443-458 DOI: 10.1016/j.csbj.2021.12.029, PubMed: 35070167 |
Biebl MM, Delhommel F, Faust O, Zak KM, Agam G, Guo X, Mühlhofer M, Dahiya V, Hillebrand D, Popowicz GM, Kampmann M, Lamb DC, Rosenzweig R, Sattler M, Buchner J (2022) NudC guides client transfer between the Hsp40/70 and Hsp90 chaperone systems. Molecular cell, Issue 3, Vol. 82, 555-569.e7 DOI: 10.1016/j.molcel.2021.12.031, PubMed: 35063133 |
Testa C, Papini AM, Zeidler R, Vullo D, Carta F, Supuran CT, Rovero P (2022) First studies on tumor associated carbonic anhydrases IX and XII monoclonal antibodies conjugated to small molecule inhibitors. Journal of enzyme inhibition and medicinal chemistry, Issue 1, Vol. 37, 592-596 DOI: 10.1080/14756366.2021.2004593, PubMed: 35057692 |
Napolitano V, Dabrowska A, Schorpp K, Mourão A, Barreto-Duran E, Benedyk M, Botwina P, Brandner S, Bostock M, Chykunova Y, Czarna A, Dubin G, Fröhlich T, Hölscher M, Jedrysik M, Matsuda A, Owczarek K, Pachota M, Plettenburg O, Potempa J, Rothenaigner I, Schlauderer F, Slysz K, Szczepanski A, Greve-Isdahl Mohn K, Blomberg B, Sattler M, Hadian K, Popowicz GM, Pyrc K (2022) Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses. Cell chemical biology, Issue 5, Vol. 29, 774-784.e8 DOI: 10.1016/j.chembiol.2021.11.006, PubMed: 35021060 |
Li M, Gaussmann S, Tippler B, Ott J, Popowicz GM, Schliebs W, Sattler M, Erdmann R, Kalel VC (2021) Novel Trypanocidal Inhibitors that Block Glycosome Biogenesis by Targeting PEX3-PEX19 Interaction. Frontiers in cell and developmental biology, Vol. 9, 737159 DOI: 10.3389/fcell.2021.737159, PubMed: 34988071 |
Lopez A, Dahiya V, Delhommel F, Freiburger L, Stehle R, Asami S, Rutz D, Blair L, Buchner J, Sattler M (2021) Client binding shifts the populations of dynamic Hsp90 conformations through an allosteric network. Science advances, Issue 51, Vol. 7, eabl7295 DOI: 10.1126/sciadv.abl7295, PubMed: 34919431 |
Olguín-Contreras LF, Mendler AN, Popowicz G, Hu B, Noessner E (2021) Double Strike Approach for Tumor Attack: Engineering T Cells Using a CD40L:CD28 Chimeric Co-Stimulatory Switch Protein for Enhanced Tumor Targeting in Adoptive Cell Therapy. Frontiers in immunology, Vol. 12, 750478 DOI: 10.3389/fimmu.2021.750478, PubMed: 34912334 |
Bernaudat F, Gustems M, Günther J, Oliva MF, Buschle A, Göbel C, Pagniez P, Lupo J, Signor L, Müller CW, Morand P, Sattler M, Hammerschmidt W, Petosa C (2022) Structural basis of DNA methylation-dependent site selectivity of the Epstein-Barr virus lytic switch protein ZEBRA/Zta/BZLF1. Nucleic acids research, Issue 1, Vol. 50, 490-511 DOI: 10.1093/nar/gkab1183, PubMed: 34893887 |
Sahoo BR, Souders 2nd CL, Watanabe-Nakayama T, Deng Z, Linton H, Suladze S, Ivanova MI, Reif B, Ando T, Martyniuk CJ, Ramamoorthy A (2022) Conformational Tuning of Amylin by Charged Styrene-Maleic-Acid Copolymers. Journal of molecular biology, Issue 2, Vol. 434, 167385 DOI: 10.1016/j.jmb.2021.167385, PubMed: 34883118 |
Albanese M, Chen YA, Hüls C, Gärtner K, Tagawa T, Mejias-Perez E, Keppler OT, Göbel C, Zeidler R, Shein M, Schütz AK, Hammerschmidt W (2021) MicroRNAs are minor constituents of extracellular vesicles that are rarely delivered to target cells. PLoS genetics, Issue 12, Vol. 17, e1009951 DOI: 10.1371/journal.pgen.1009951, PubMed: 34871319 |
Reif B (2022) Deuteration for High-Resolution Detection of Protons in Protein Magic Angle Spinning (MAS) Solid-State NMR. Chemical reviews, Issue 10, Vol. 122, 10019-10035 DOI: 10.1021/acs.chemrev.1c00681, PubMed: 34870415 |
Borchard S, Raschke S, Zak KM, Eberhagen C, Einer C, Weber E, Müller SM, Michalke B, Lichtmannegger J, Wieser A, Rieder T, Popowicz GM, Adamski J, Klingenspor M, Coles AH, Viana R, Vendelbo MH, Sandahl TD, Schwerdtle T, Plitz T, Zischka H (2022) Bis-choline tetrathiomolybdate prevents copper-induced blood-brain barrier damage. Life science alliance, Issue 3, Vol. 5 DOI: 10.26508/lsa.202101164, PubMed: 34857647 |
Mishra K, Fuenzalida-Werner JP, Pennacchietti F, Janowski R, Chmyrov A, Huang Y, Zakian C, Klemm U, Testa I, Niessing D, Ntziachristos V, Stiel AC (2022) Genetically encoded photo-switchable molecular sensors for optoacoustic and super-resolution imaging. Nature biotechnology, Issue 4, Vol. 40, 598-605 DOI: 10.1038/s41587-021-01100-5, PubMed: 34845372 |
Behrens G, Edelmann SL, Raj T, Kronbeck N, Monecke T, Davydova E, Wong EH, Kifinger L, Giesert F, Kirmaier ME, Hohn C, de Jonge LS, Pisfil MG, Fu M, Theurich S, Feske S, Kawakami N, Wurst W, Niessing D, Heissmeyer V (2021) Disrupting Roquin-1 interaction with Regnase-1 induces autoimmunity and enhances antitumor responses. Nature immunology, Issue 12, Vol. 22, 1563-1576 DOI: 10.1038/s41590-021-01064-3, PubMed: 34811541 |
Mühlhofer M, Peters C, Kriehuber T, Kreuzeder M, Kazman P, Rodina N, Reif B, Haslbeck M, Weinkauf S, Buchner J (2021) Phosphorylation activates the yeast small heat shock protein Hsp26 by weakening domain contacts in the oligomer ensemble. Nature communications, Issue 1, Vol. 12, 6697 DOI: 10.1038/s41467-021-27036-7, PubMed: 34795272 |
Heumüller AW, Jones AN, Mourão A, Klangwart M, Shi C, Wittig I, Fischer A, Muhly-Reinholz M, Buchmann GK, Dieterich C, Potente M, Braun T, Grote P, Jaé N, Sattler M, Dimmeler S (2022) Locus-Conserved Circular RNA cZNF292 Controls Endothelial Cell Flow Responses. Circulation research, Issue 1, Vol. 130, 67-79 DOI: 10.1161/CIRCRESAHA.121.320029, PubMed: 34789007 |
Ksenofontov AA, Lukanov MM, Bocharov PS, Berezin MB, Tetko IV (2022) Deep neural network model for highly accurate prediction of BODIPYs absorption. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, Issue Pt 2, Vol. 267, 120577 DOI: 10.1016/j.saa.2021.120577, PubMed: 34776377 |
Chrustowicz J, Sherpa D, Teyra J, Loke MS, Popowicz GM, Basquin J, Sattler M, Prabu JR, Sidhu SS, Schulman BA (2022) Multifaceted N-Degron Recognition and Ubiquitylation by GID/CTLH E3 Ligases. Journal of molecular biology, Issue 2, Vol. 434, 167347 DOI: 10.1016/j.jmb.2021.167347, PubMed: 34767800 |
Fottner M, Weyh M, Gaussmann S, Schwarz D, Sattler M, Lang K (2021) A modular toolbox to generate complex polymeric ubiquitin architectures using orthogonal sortase enzymes. Nature communications, Issue 1, Vol. 12, 6515 DOI: 10.1038/s41467-021-26812-9, PubMed: 34764289 |
Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV (2022) Highly Accurate Filters to Flag Frequent Hitters in AlphaScreen Assays by Suggesting their Mechanism. Molecular informatics, Issue 3, Vol. 41, e2100151 DOI: 10.1002/minf.202100151, PubMed: 34676998 |
Günsel U, Hagn F (2022) Lipid Nanodiscs for High-Resolution NMR Studies of Membrane Proteins. Chemical reviews, Issue 10, Vol. 122, 9395-9421 DOI: 10.1021/acs.chemrev.1c00702, PubMed: 34665588 |
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC (2021) Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental health perspectives, Issue 10, Vol. 129, 109001 DOI: 10.1289/EHP10369, PubMed: 34647794 |
Tošner Z, Brandl MJ, Blahut J, Glaser SJ, Reif B (2021) Maximizing efficiency of dipolar recoupling in solid-state NMR using optimal control sequences. Science advances, Issue 42, Vol. 7, eabj5913 DOI: 10.1126/sciadv.abj5913, PubMed: 34644121 |
Zhang X, Schuhmachers P, Mourão A, Giansanti P, Murer A, Thumann S, Kuklik-Roos C, Beer S, Hauck SM, Hammerschmidt W, Küppers R, Kuster B, Raab M, Strebhardt K, Sattler M, Münz C, Kempkes B (2021) PLK1-dependent phosphorylation restrains EBNA2 activity and lymphomagenesis in EBV-infected mice. EMBO reports, Issue 12, Vol. 22, e53007 DOI: 10.15252/embr.202153007, PubMed: 34605140 |
Fino R, Lenhart D, Kalel VC, Softley CA, Napolitano V, Byrne R, Schliebs W, Dawidowski M, Erdmann R, Sattler M, Schneider G, Plettenburg O, Popowicz GM (2021) Computer-Aided Design and Synthesis of a New Class of PEX14 Inhibitors: Substituted 2,3,4,5-Tetrahydrobenzo[F][1,4]oxazepines as Potential New Trypanocidal Agents. Journal of chemical information and modeling, Issue 10, Vol. 61, 5256-5268 DOI: 10.1021/acs.jcim.1c00472, PubMed: 34597510 |
Sperl LE, Rührnößl F, Schiller A, Haslbeck M, Hagn F (2021) High-resolution analysis of the conformational transition of pro-apoptotic Bak at the lipid membrane. The EMBO journal, Issue 20, Vol. 40, e107159 DOI: 10.15252/embj.2020107159, PubMed: 34523144 |
Tan H, Su W, Zhang W, Zhang J, Sattler M, Zou P (2021) Generation of novel long-acting GLP-1R agonists using DARPins as a scaffold. International journal of pharmaceutics, Vol. 607, 121043 DOI: 10.1016/j.ijpharm.2021.121043, PubMed: 34450223 |
Gasser A, Chen YW, Audebrand A, Daglayan A, Charavin M, Escoubet B, Karpov P, Tetko I, Chan MWY, Cardinale D, Désaubry L, Nebigil CG (2019) Prokineticin Receptor-1 Signaling Inhibits Dose- and Time-Dependent Anthracycline-Induced Cardiovascular Toxicity Via Myocardial and Vascular Protection. JACC. CardioOncology, Issue 1, Vol. 1, 84-102 DOI: 10.1016/j.jaccao.2019.06.003, PubMed: 34396166 |
Fukumura K, Yoshimoto R, Sperotto L, Kang HS, Hirose T, Inoue K, Sattler M, Mayeda A (2021) SPF45/RBM17-dependent, but not U2AF-dependent, splicing in a distinct subset of human short introns. Nature communications, Issue 1, Vol. 12, 4910 DOI: 10.1038/s41467-021-24879-y, PubMed: 34389706 |
Reyes Romero A, Lunev S, Popowicz GM, Calderone V, Gentili M, Sattler M, Plewka J, Taube M, Kozak M, Holak TA, Dömling ASS, Groves MR (2021) A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity. Communications biology, Issue 1, Vol. 4, 949 DOI: 10.1038/s42003-021-02442-1, PubMed: 34376783 |
Reif B, Ashbrook SE, Emsley L, Hong M (2021) Solid-state NMR spectroscopy. Nature reviews. Methods primers, Vol. 1 DOI: 10.1038/s43586-020-00002-1, PubMed: 34368784 |
Schönfelder J, Pfeiffer PB, Pradhan T, Bijzet J, Hazenberg BPC, Schönland SO, Hegenbart U, Reif B, Haupt C, Fändrich M (2021) Protease resistance of ex vivo amyloid fibrils implies the proteolytic selection of disease-associated fibril morphologies. Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis, Issue 4, Vol. 28, 243-251 DOI: 10.1080/13506129.2021.1960501, PubMed: 34338090 |
de Souza Degenhardt MF, Vitale PAM, Abiko LA, Zacharias M, Sattler M, Oliveira CLP, Salinas RK (2021) Molecular insights on CALX-CBD12 interdomain dynamics from MD simulations, RDCs, and SAXS. Biophysical journal, Issue 17, Vol. 120, 3664-3675 DOI: 10.1016/j.bpj.2021.07.022, PubMed: 34310942 |
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash A, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo D, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC (2021) Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental health perspectives, Issue 7, Vol. 129, 79001 DOI: 10.1289/EHP9883, PubMed: 34242083 |
Zak KM, Bostock MJ, Waligorska I, Thøgersen IB, Enghild JJ, Popowicz GM, Grudnik P, Potempa J, Ksiazek M (2021) Latency, thermal stability, and identification of an inhibitory compound of mirolysin, a secretory protease of the human periodontopathogen Tannerella forsythia. Journal of enzyme inhibition and medicinal chemistry, Issue 1, Vol. 36, 1267-1281 DOI: 10.1080/14756366.2021.1937619, PubMed: 34210221 |
Lian X, Xia Z, Li X, Karpov P, Jin H, Tetko IV, Xia J, Wu S (2021) Anti-MRSA drug discovery by ligand-based virtual screening and biological evaluation. Bioorganic chemistry, Vol. 114, 105042 DOI: 10.1016/j.bioorg.2021.105042, PubMed: 34120024 |
Sperl LE, Hagn F (2021) NMR Structural and Biophysical Analysis of the Disease-Linked Inner Mitochondrial Membrane Protein MPV17. Journal of molecular biology, Issue 15, Vol. 433, 167098 DOI: 10.1016/j.jmb.2021.167098, PubMed: 34116124 |
Georgiadi A, Lopez-Salazar V, Merahbi RE, Karikari RA, Ma X, Mourão A, Klepac K, Bühler L, Alfaro AJ, Kaczmarek I, Linford A, Bosma M, Shilkova O, Ritvos O, Nakamura N, Hirose S, Lassi M, Teperino R, Machado J, Scheideler M, Dietrich A, Geerlof A, Feuchtinger A, Blutke A, Fischer K, Müller TD, Kessler K, Schöneberg T, Thor D, Hornemann S, Kruse M, Nawroth P, Pivovarova-Ramich O, Pfeiffer AFH, Sattler M, Blüher M, Herzig S (2021) Orphan GPR116 mediates the insulin sensitizing effects of the hepatokine FNDC4 in adipose tissue. Nature communications, Issue 1, Vol. 12, 2999 DOI: 10.1038/s41467-021-22579-1, PubMed: 34016966 |
Stadler D, Kächele M, Jones AN, Hess J, Urban C, Schneider J, Xia Y, Oswald A, Nebioglu F, Bester R, Lasitschka F, Ringelhan M, Ko C, Chou WM, Geerlof A, van de Klundert MA, Wettengel JM, Schirmacher P, Heikenwälder M, Schreiner S, Bartenschlager R, Pichlmair A, Sattler M, Unger K, Protzer U (2021) Interferon-induced degradation of the persistent hepatitis B virus cccDNA form depends on ISG20. EMBO reports, Issue 6, Vol. 22, e49568 DOI: 10.15252/embr.201949568, PubMed: 33969602 |
Liu N, Gujrati V, Malekzadeh-Najafabadi J, Werner JPF, Klemm U, Tang L, Chen Z, Prakash J, Huang Y, Stiel A, Mettenleiter G, Aichler M, Blutke A, Walch A, Kleigrewe K, Razansky D, Sattler M, Ntziachristos V (2021) Croconaine-based nanoparticles enable efficient optoacoustic imaging of murine brain tumors. Photoacoustics, Vol. 22, 100263 DOI: 10.1016/j.pacs.2021.100263, PubMed: 33948433 |
Gaussmann S, Gopalswamy M, Eberhardt M, Reuter M, Zou P, Schliebs W, Erdmann R, Sattler M (2021) Membrane Interactions of the Peroxisomal Proteins PEX5 and PEX14. Frontiers in cell and developmental biology, Vol. 9, 651449 DOI: 10.3389/fcell.2021.651449, PubMed: 33937250 |
Mansouri K, Karmaus AL, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, Alepee N, Allen TEH, Allen D, Alves VM, Andrade CH, Auernhammer TR, Ballabio D, Bell S, Benfenati E, Bhattacharya S, Bastos JV, Boyd S, Brown JB, Capuzzi SJ, Chushak Y, Ciallella H, Clark AM, Consonni V, Daga PR, Ekins S, Farag S, Fedorov M, Fourches D, Gadaleta D, Gao F, Gearhart JM, Goh G, Goodman JM, Grisoni F, Grulke CM, Hartung T, Hirn M, Karpov P, Korotcov A, Lavado GJ, Lawless M, Li X, Luechtefeld T, Lunghini F, Mangiatordi GF, Marcou G, Marsh D, Martin T, Mauri A, Muratov EN, Myatt GJ, Nguyen DT, Nicolotti O, Note R, Pande P, Parks AK, Peryea T, Polash AH, Rallo R, Roncaglioni A, Rowlands C, Ruiz P, Russo DP, Sayed A, Sayre R, Sheils T, Siegel C, Silva AC, Simeonov A, Sosnin S, Southall N, Strickland J, Tang Y, Teppen B, Tetko IV, Thomas D, Tkachenko V, Todeschini R, Toma C, Tripodi I, Trisciuzzi D, Tropsha A, Varnek A, Vukovic K, Wang Z, Wang L, Waters KM, Wedlake AJ, Wijeyesakere SJ, Wilson D, Xiao Z, Yang H, Zahoranszky-Kohalmi G, Zakharov AV, Zhang FF, Zhang Z, Zhao T, Zhu H, Zorn KM, Casey W, Kleinstreuer NC (2021) CATMoS: Collaborative Acute Toxicity Modeling Suite. Environmental health perspectives, Issue 4, Vol. 129, 47013 DOI: 10.1289/EHP8495, PubMed: 33929906 |
Pallesen JS, Narayanan D, Tran KT, Solbak SMØ, Marseglia G, Sørensen LME, Høj LJ, Munafò F, Carmona RMC, Garcia AD, Desu HL, Brambilla R, Johansen TN, Popowicz GM, Sattler M, Gajhede M, Bach A (2021) Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. Journal of medicinal chemistry, Issue 8, Vol. 64, 4623-4661 DOI: 10.1021/acs.jmedchem.0c02094, PubMed: 33818106 |
Munshaw S, Bruche S, Redpath AN, Jones A, Patel J, Dubé KN, Lee R, Hester SS, Davies R, Neal G, Handa A, Sattler M, Fischer R, Channon KM, Smart N (2021) Thymosin β4 protects against aortic aneurysm via endocytic regulation of growth factor signaling. The Journal of clinical investigation, Issue 10, Vol. 131, e127884 DOI: 10.1172/JCI127884, PubMed: 33784254 |
Molitor L, Bacher S, Burczyk S, Niessing D (2021) The Molecular Function of PURA and Its Implications in Neurological Diseases. Frontiers in genetics, Vol. 12, 638217 DOI: 10.3389/fgene.2021.638217, PubMed: 33777106 |
Liu N, O'Connor P, Gujrati V, Gorpas D, Glasl S, Blutke A, Walch A, Kleigrewe K, Sattler M, Plettenburg O, Ntziachristos V (2021) Facile Synthesis of a Croconaine-Based Nanoformulation for Optoacoustic Imaging and Photothermal Therapy. Advanced healthcare materials, Issue 9, Vol. 10, e2002115 DOI: 10.1002/adhm.202002115, PubMed: 33738974 |
Li G, Chen TW, Nickel AC, Muhammad S, Steiger HJ, Tzaridis T, Hänggi D, Zeidler R, Zhang W, Kahlert UD (2021) Carbonic Anhydrase XII is a Clinically Significant, Molecular Tumor-Subtype Specific Therapeutic Target in Glioma with the Potential to Combat Invasion of Brain Tumor Cells. OncoTargets and therapy, Vol. 14, 1707-1718 DOI: 10.2147/OTT.S300623, PubMed: 33692626 |
Naarmann-de Vries IS, Senatore R, Moritz B, Marx G, Urlaub H, Niessing D, Ostareck DH, Ostareck-Lederer A (2021) Methylated HNRNPK acts on RPS19 to regulate ALOX15 synthesis in erythropoiesis. Nucleic acids research, Issue 6, Vol. 49, 3507-3523 DOI: 10.1093/nar/gkab116, PubMed: 33660773 |
Alderson TR, Adriaenssens E, Asselbergh B, Pritišanac I, Van Lent J, Gastall HY, Wälti MA, Louis JM, Timmerman V, Baldwin AJ, Lp Benesch J (2021) A weakened interface in the P182L variant of HSP27 associated with severe Charcot-Marie-Tooth neuropathy causes aberrant binding to interacting proteins. The EMBO journal, Issue 8, Vol. 40, e103811 DOI: 10.15252/embj.2019103811, PubMed: 33644875 |
Zhang M, Gui M, Wang ZF, Gorgulla C, Yu JJ, Wu H, Sun ZJ, Klenk C, Merklinger L, Morstein L, Hagn F, Plückthun A, Brown A, Nasr ML, Wagner G (2021) Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nature structural & molecular biology, Issue 3, Vol. 28, 258-267 DOI: 10.1038/s41594-020-00554-6, PubMed: 33633398 |
Schuch LA, Forstner M, Rapp CK, Li Y, Smith DEC, Mendes MI, Delhommel F, Sattler M, Emiralioğlu N, Taskiran EZ, Orhan D, Kiper N, Rohlfs M, Jeske T, Hastreiter M, Gerstlauer M, Torrent-Vernetta A, Moreno-Galdó A, Kammer B, Brasch F, Reu-Hofer S, Griese M (2021) FARS1-related disorders caused by bi-allelic mutations in cytosolic phenylalanyl-tRNA synthetase genes: Look beyond the lungs! Clinical genetics, Issue 6, Vol. 99, 789-801 DOI: 10.1111/cge.13943, PubMed: 33598926 |
Kleinstreuer NC, Tetko IV, Tong W (2021) Introduction to Special Issue: Computational Toxicology. Chemical research in toxicology, Issue 2, Vol. 34, 171-175 DOI: 10.1021/acs.chemrestox.1c00032, PubMed: 33583184 |
Calonaci N, Jones A, Cuturello F, Sattler M, Bussi G (2020) Machine learning a model for RNA structure prediction. NAR genomics and bioinformatics, Issue 4, Vol. 2, lqaa090 DOI: 10.1093/nargab/lqaa090, PubMed: 33575634 |
Biebl MM, Lopez A, Rehn A, Freiburger L, Lawatscheck J, Blank B, Sattler M, Buchner J (2021) Structural elements in the flexible tail of the co-chaperone p23 coordinate client binding and progression of the Hsp90 chaperone cycle. Nature communications, Issue 1, Vol. 12, 828 DOI: 10.1038/s41467-021-21063-0, PubMed: 33547294 |
Alderson TR, Kay LE (2021) NMR spectroscopy captures the essential role of dynamics in regulating biomolecular function. Cell, Issue 3, Vol. 184, 577-595 DOI: 10.1016/j.cell.2020.12.034, PubMed: 33545034 |
Kang HS, Sattler M (2018) Capturing dynamic conformational shifts in protein-ligand recognition using integrative structural biology in solution. Emerging topics in life sciences, Issue 1, Vol. 2, 107-119 DOI: 10.1042/ETLS20170090, PubMed: 33525784 |
Wu L, Huang R, Tetko IV, Xia Z, Xu J, Tong W (2021) Trade-off Predictivity and Explainability for Machine-Learning Powered Predictive Toxicology: An in-Depth Investigation with Tox21 Data Sets. Chemical research in toxicology, Issue 2, Vol. 34, 541-549 DOI: 10.1021/acs.chemrestox.0c00373, PubMed: 33513003 |
Reuter M, Kooshapur H, Suda JG, Gaussmann S, Neuhaus A, Brühl L, Bharti P, Jung M, Schliebs W, Sattler M, Erdmann R (2021) Competitive Microtubule Binding of PEX14 Coordinates Peroxisomal Protein Import and Motility. Journal of molecular biology, Issue 5, Vol. 433, 166765 DOI: 10.1016/j.jmb.2020.166765, PubMed: 33484719 |
Karpov P, Godin G, Tetko IV (2020) Transformer-CNN: Swiss knife for QSAR modeling and interpretation. Journal of cheminformatics, Issue 1, Vol. 12, 17 DOI: 10.1186/s13321-020-00423-w, PubMed: 33431004 |
van Deursen R, Ertl P, Tetko IV, Godin G (2020) GEN: highly efficient SMILES explorer using autodidactic generative examination networks. Journal of cheminformatics, Issue 1, Vol. 12, 22 DOI: 10.1186/s13321-020-00425-8, PubMed: 33430998 |
Semenyuta IV, Trush MM, Kovalishyn VV, Rogalsky SP, Hodyna DM, Karpov P, Xia Z, Tetko IV, Metelytsia LO (2021) Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter Baumannii and Staphylococcus Aureus. International journal of molecular sciences, Issue 2, Vol. 22 DOI: 10.3390/ijms22020563, PubMed: 33429999 |
Savitskiy S, Wachtel R, Pourjafar-Dehkordi D, Kang HS, Trauschke V, Lamb DC, Sattler M, Zacharias M, Itzen A (2021) Proteolysis of Rab32 by Salmonella GtgE induces an inactive GTPase conformation. iScience, Issue 1, Vol. 24, 101940 DOI: 10.1016/j.isci.2020.101940, PubMed: 33426511 |
Tetko IV, Engkvist O (2020) From Big Data to Artificial Intelligence: chemoinformatics meets new challenges. Journal of cheminformatics, Issue 1, Vol. 12, 74 DOI: 10.1186/s13321-020-00475-y, PubMed: 33339533 |
Liwocha J, Krist DT, van der Heden van Noort GJ, Hansen FM, Truong VH, Karayel O, Purser N, Houston D, Burton N, Bostock MJ, Sattler M, Mann M, Harrison JS, Kleiger G, Ovaa H, Schulman BA (2021) Linkage-specific ubiquitin chain formation depends on a lysine hydrocarbon ruler. Nature chemical biology, Issue 3, Vol. 17, 272-279 DOI: 10.1038/s41589-020-00696-0, PubMed: 33288957 |
Jagtap PKA, Kubelka T, Soni K, Will CL, Garg D, Sippel C, Kapp TG, Potukuchi HK, Schorpp K, Hadian K, Kessler H, Lührmann R, Hausch F, Bach T, Sattler M (2020) Identification of phenothiazine derivatives as UHM-binding inhibitors of early spliceosome assembly. Nature communications, Issue 1, Vol. 11, 5621 DOI: 10.1038/s41467-020-19514-1, PubMed: 33159082 |
Kolonko M, Bystranowska D, Taube M, Kozak M, Bostock M, Popowicz G, Ożyhar A, Greb-Markiewicz B (2020) The intrinsically disordered region of GCE protein adopts a more fixed structure by interacting with the LBD of the nuclear receptor FTZ-F1. Cell communication and signaling : CCS, Issue 1, Vol. 18, 180 DOI: 10.1186/s12964-020-00662-2, PubMed: 33153474 |
Tetko IV, Karpov P, Van Deursen R, Godin G (2020) State-of-the-art augmented NLP transformer models for direct and single-step retrosynthesis. Nature communications, Issue 1, Vol. 11, 5575 DOI: 10.1038/s41467-020-19266-y, PubMed: 33149154 |
López A, Elimelech AR, Klimm K, Sattler M (2021) The Charged Linker Modulates the Conformations and Molecular Interactions of Hsp90. Chembiochem : a European journal of chemical biology, Issue 6, Vol. 22, 1084-1092 DOI: 10.1002/cbic.202000699, PubMed: 33147371 |
Pradhan T, Annamalai K, Sarkar R, Huhn S, Hegenbart U, Schönland S, Fändrich M, Reif B (2020) Seeded fibrils of the germline variant of human λ-III immunoglobulin light chain FOR005 have a similar core as patient fibrils with reduced stability. The Journal of biological chemistry, Issue 52, Vol. 295, 18474-18484 DOI: 10.1074/jbc.RA120.016006, PubMed: 33093170 |
Weber B, Hora M, Kazman P, Pradhan T, Rührnößl F, Reif B, Buchner J (2020) Domain Interactions Determine the Amyloidogenicity of Antibody Light Chain Mutants. Journal of molecular biology, Issue 23, Vol. 432, 6187-6199 DOI: 10.1016/j.jmb.2020.10.005, PubMed: 33058870 |
Donau C, Späth F, Sosson M, Kriebisch BAK, Schnitter F, Tena-Solsona M, Kang HS, Salibi E, Sattler M, Mutschler H, Boekhoven J (2020) Active coacervate droplets as a model for membraneless organelles and protocells. Nature communications, Issue 1, Vol. 11, 5167 DOI: 10.1038/s41467-020-18815-9, PubMed: 33056997 |
Jussupow A, Messias AC, Stehle R, Geerlof A, Solbak SMØ, Paissoni C, Bach A, Sattler M, Camilloni C (2020) The dynamics of linear polyubiquitin. Science advances, Issue 42, Vol. 6 DOI: 10.1126/sciadv.abc3786, PubMed: 33055165 |
Santovito D, Egea V, Bidzhekov K, Natarelli L, Mourão A, Blanchet X, Wichapong K, Aslani M, Brunßen C, Horckmans M, Hristov M, Geerlof A, Lutgens E, Daemen MJAP, Hackeng T, Ries C, Chavakis T, Morawietz H, Naumann R, Hundelshausen PV, Steffens S, Duchêne J, Megens RTA, Sattler M, Weber C (2020) Autophagy unleashes noncanonical microRNA functions. Autophagy, Issue 12, Vol. 16, 2294-2296 DOI: 10.1080/15548627.2020.1830523, PubMed: 33054575 |
Tan H, Su W, Zhang W, Zhang J, Sattler M, Zou P (2021) Albumin-binding domain extends half-life of glucagon-like peptide-1. European journal of pharmacology, Vol. 890, 173650 DOI: 10.1016/j.ejphar.2020.173650, PubMed: 33049303 |
Slabik C, Kalbarczyk M, Danisch S, Zeidler R, Klawonn F, Volk V, Krönke N, Feuerhake F, Ferreira de Figueiredo C, Blasczyk R, Olbrich H, Theobald SJ, Schneider A, Ganser A, von Kaisenberg C, Lienenklaus S, Bleich A, Hammerschmidt W, Stripecke R (2020) CAR-T Cells Targeting Epstein-Barr Virus gp350 Validated in a Humanized Mouse Model of EBV Infection and Lymphoproliferative Disease. Molecular therapy oncolytics, Vol. 18, 504-524 DOI: 10.1016/j.omto.2020.08.005, PubMed: 32953984 |
Pradhan T, Annamalai K, Sarkar R, Hegenbart U, Schönland S, Fändrich M, Reif B (2021) Solid state NMR assignments of a human λ-III immunoglobulin light chain amyloid fibril. Biomolecular NMR assignments, Issue 1, Vol. 15, 9-16 DOI: 10.1007/s12104-020-09975-2, PubMed: 32946005 |
Pritišanac I, Alderson TR, Güntert P (2020) Automated assignment of methyl NMR spectra from large proteins. Progress in nuclear magnetic resonance spectroscopy, Vol. 118-119, 54-73 DOI: 10.1016/j.pnmrs.2020.04.001, PubMed: 32883449 |
Goba I, Goricanec D, Schum D, Hillenbrand M, Plückthun A, Hagn F (2021) Probing the Conformation States of Neurotensin Receptor 1 Variants by NMR Site-Directed Methyl Labeling. Chembiochem : a European journal of chemical biology, Issue 1, Vol. 22, 139-146 DOI: 10.1002/cbic.202000541, PubMed: 32881260 |
Reinking HK, Kang HS, Götz MJ, Li HY, Kieser A, Zhao S, Acampora AC, Weickert P, Fessler E, Jae LT, Sattler M, Stingele J (2020) DNA Structure-Specific Cleavage of DNA-Protein Crosslinks by the SPRTN Protease. Molecular cell, Issue 1, Vol. 80, 102-113.e6 DOI: 10.1016/j.molcel.2020.08.003, PubMed: 32853547 |
Steiner A, Schlepckow K, Brunner B, Steiner H, Haass C, Hagn F (2020) γ-Secretase cleavage of the Alzheimer risk factor TREM2 is determined by its intrinsic structural dynamics. The EMBO journal, Issue 20, Vol. 39, e104247 DOI: 10.15252/embj.2019104247, PubMed: 32830336 |
Delhommel F, Sattler M (2020) When Less Is More: Combining Site-Specific Isotope Labeling and NMR Unravels Structural Details of Huntingtin Repeats. Structure (London, England : 1993), Issue 7, Vol. 28, 730-732 DOI: 10.1016/j.str.2020.06.005, PubMed: 32640252 |
Fuenzalida Werner JP, Huang Y, Mishra K, Janowski R, Vetschera P, Heichler C, Chmyrov A, Neufert C, Niessing D, Ntziachristos V, Stiel AC (2020) Challenging a Preconception: Optoacoustic Spectrum Differs from the Optical Absorption Spectrum of Proteins and Dyes for Molecular Imaging. Analytical chemistry, Issue 15, Vol. 92, 10717-10724 DOI: 10.1021/acs.analchem.0c01902, PubMed: 32640156 |
Esgleas M, Falk S, Forné I, Thiry M, Najas S, Zhang S, Mas-Sanchez A, Geerlof A, Niessing D, Wang Z, Imhof A, Götz M (2020) Trnp1 organizes diverse nuclear membrane-less compartments in neural stem cells. The EMBO journal, Issue 16, Vol. 39, e103373 DOI: 10.15252/embj.2019103373, PubMed: 32627867 |
Lampl S, Janas MK, Donakonda S, Brugger M, Lohr K, Schneider A, Manske K, Sperl LE, Kläger S, Küster B, Wettmarshausen J, Müller C, Laschinger M, Hartmann D, Hüser N, Perocchi F, Schmitt-Kopplin P, Hagn F, Zender L, Hornung V, Borner C, Pichlmair A, Kashkar H, Klingenspor M, Prinz M, Schreiner S, Conrad M, Jost PJ, Zischka H, Steiger K, Krönke M, Zehn D, Protzer U, Heikenwälder M, Knolle PA, Wohlleber D (2020) Reduced mitochondrial resilience enables non-canonical induction of apoptosis after TNF receptor signaling in virus-infected hepatocytes. Journal of hepatology, Issue 6, Vol. 73, 1347-1359 DOI: 10.1016/j.jhep.2020.06.026, PubMed: 32598967 |
Softley CA, Zak KM, Bostock MJ, Fino R, Zhou RX, Kolonko M, Mejdi-Nitiu R, Meyer H, Sattler M, Popowicz GM (2020) Correction for Softley et al., "Structure and Molecular Recognition Mechanism of IMP-13 Metallo-β-Lactamase". Antimicrobial agents and chemotherapy, Issue 7, Vol. 64 DOI: 10.1128/AAC.01077-20, PubMed: 32576598 |
Softley CA, Bostock MJ, Popowicz GM, Sattler M (2020) Paramagnetic NMR in drug discovery. Journal of biomolecular NMR, Issue 6-7, Vol. 74, 287-309 DOI: 10.1007/s10858-020-00322-0, PubMed: 32524233 |
Santovito D, Egea V, Bidzhekov K, Natarelli L, Mourão A, Blanchet X, Wichapong K, Aslani M, Brunßen C, Horckmans M, Hristov M, Geerlof A, Lutgens E, Daemen MJAP, Hackeng T, Ries C, Chavakis T, Morawietz H, Naumann R, von Hundelshausen P, Steffens S, Duchêne J, Megens RTA, Sattler M, Weber C (2020) Noncanonical inhibition of caspase-3 by a nuclear microRNA confers endothelial protection by autophagy in atherosclerosis. Science translational medicine, Issue 546, Vol. 12 DOI: 10.1126/scitranslmed.aaz2294, PubMed: 32493793 |
Binas O, Tants JN, Peter SA, Janowski R, Davydova E, Braun J, Niessing D, Schwalbe H, Weigand JE, Schlundt A (2020) Structural basis for the recognition of transiently structured AU-rich elements by Roquin. Nucleic acids research, Issue 13, Vol. 48, 7385-7403 DOI: 10.1093/nar/gkaa465, PubMed: 32491174 |
Janowski R, Niessing D (2020) The large family of PC4-like domains - similar folds and functions throughout all kingdoms of life. RNA biology, Issue 9, Vol. 17, 1228-1238 DOI: 10.1080/15476286.2020.1761639, PubMed: 32476604 |
Encarnação JC, Napolitano V, Opassi G, Danielson UH, Dubin G, Popowicz GM, Munier-Lehmann H, Buijs J, Andersson K, Björkelund H (2020) A real-time cell-binding assay reveals dynamic features of STxB-Gb3 cointernalization and STxB-mediated cargo delivery into cancer cells. FEBS letters, Issue 15, Vol. 594, 2406-2420 DOI: 10.1002/1873-3468.13847, PubMed: 32473599 |
Soni K, Martínez-Lumbreras S, Sattler M (2020) Conformational Dynamics from Ambiguous Zinc Coordination in the RanBP2-Type Zinc Finger of RBM5. Journal of molecular biology, Issue 14, Vol. 432, 4127-4138 DOI: 10.1016/j.jmb.2020.05.012, PubMed: 32450081 |
Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A (2020) Correction: QSAR without borders. Chemical Society reviews, Issue 11, Vol. 49, 3716 DOI: 10.1039/d0cs90041a, PubMed: 32441715 |
Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtarolo S, Fourches D, Cohen Y, Aspuru-Guzik A, Winkler DA, Agrafiotis D, Cherkasov A, Tropsha A (2020) QSAR without borders. Chemical Society reviews, Issue 11, Vol. 49, 3525-3564 DOI: 10.1039/d0cs00098a, PubMed: 32356548 |
Kühne JF, Neudörfl C, Beushausen K, Keil J, Malysheva S, Wandrer F, Haller H, Messerle M, Blume C, Neuenhahn M, Schlott F, Hammerschmidt W, Zeidler R, Falk CS (2020) Differential effects of Belatacept on virus-specific memory versus de novo allo-specific T cell responses of kidney transplant recipients and healthy donors. Transplant immunology, Vol. 61, 101291 DOI: 10.1016/j.trim.2020.101291, PubMed: 32330566 |
Grob P, Huber M, Walla B, Hermann J, Janowski R, Niessing D, Hekmat D, Weuster-Botz D (2020) Crystal Contact Engineering Enables Efficient Capture and Purification of an Oxidoreductase by Technical Crystallization. Biotechnology journal, Issue 11, Vol. 15, e2000010 DOI: 10.1002/biot.202000010, PubMed: 32302461 |
Niu Z, Sarkar R, Aichler M, Wester HJ, Yousefi BH, Reif B (2020) Mapping the Binding Interface of PET Tracer Molecules and Alzheimer Disease Aβ Fibrils by Using MAS Solid-State NMR Spectroscopy. Chembiochem : a European journal of chemical biology, Issue 17, Vol. 21, 2495-2502 DOI: 10.1002/cbic.202000143, PubMed: 32291951 |
Su W, Tan H, Janowski R, Zhang W, Wang P, Zhang J, Zhai H, Li J, Niessing D, Sattler M, Zou P (2020) Ferritin-Displayed GLP-1 with Improved Pharmacological Activities and Pharmacokinetics. Molecular pharmaceutics, Issue 5, Vol. 17, 1663-1673 DOI: 10.1021/acs.molpharmaceut.0c00098, PubMed: 32243177 |
Vieweg S, Mulholland K, Bräuning B, Kachariya N, Lai YC, Toth R, Singh PK, Volpi I, Sattler M, Groll M, Itzen A, Muqit MMK (2020) PINK1-dependent phosphorylation of Serine111 within the SF3 motif of Rab GTPases impairs effector interactions and LRRK2-mediated phosphorylation at Threonine72. The Biochemical journal, Issue 9, Vol. 477, 1651-1668 DOI: 10.1042/BCJ20190664, PubMed: 32227113 |
Softley CA, Zak KM, Bostock MJ, Fino R, Zhou RX, Kolonko M, Mejdi-Nitiu R, Meyer H, Sattler M, Popowicz GM (2020) Structure and Molecular Recognition Mechanism of IMP-13 Metallo-β-Lactamase. Antimicrobial agents and chemotherapy, Issue 6, Vol. 64, e00123-20 DOI: 10.1128/AAC.00123-20, PubMed: 32205343 |
Delhommel F, Gabel F, Sattler M (2020) Current approaches for integrating solution NMR spectroscopy and small-angle scattering to study the structure and dynamics of biomolecular complexes. Journal of molecular biology, Issue 9, Vol. 432, 2890-2912 DOI: 10.1016/j.jmb.2020.03.014, PubMed: 32199983 |
Ratkova EL, Dawidowski M, Napolitano V, Dubin G, Fino R, Ostertag MS, Sattler M, Popowicz G, Tetko IV (2020) Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chemical communications (Cambridge, England), Issue 31, Vol. 56, 4360-4363 DOI: 10.1039/c9cc07714f, PubMed: 32195483 |
Kang HS, Sánchez-Rico C, Ebersberger S, Sutandy FXR, Busch A, Welte T, Stehle R, Hipp C, Schulz L, Buchbender A, Zarnack K, König J, Sattler M (2020) An autoinhibitory intramolecular interaction proof-reads RNA recognition by the essential splicing factor U2AF2. Proceedings of the National Academy of Sciences of the United States of America, Issue 13, Vol. 117, 7140-7149 DOI: 10.1073/pnas.1913483117, PubMed: 32188783 |
Mader SL, Lopez A, Lawatscheck J, Luo Q, Rutz DA, Gamiz-Hernandez AP, Sattler M, Buchner J, Kaila VRI (2020) Conformational dynamics modulate the catalytic activity of the molecular chaperone Hsp90. Nature communications, Issue 1, Vol. 11, 1410 DOI: 10.1038/s41467-020-15050-0, PubMed: 32179743 |
Kleinstreuer NC, Tong W, Tetko IV (2020) Computational Toxicology. Chemical research in toxicology, Issue 3, Vol. 33, 687-688 DOI: 10.1021/acs.chemrestox.0c00070, PubMed: 32172570 |
Dawidowski M, Król M, Szulczyk B, Chodkowski A, Podsadni P, Konopelski P, Ufnal M, Szuberski P, Wróbel MZ, Zhang Y, El Harchi A, Hancox JC, Jarkovska D, Mistrova E, Sviglerova J, Štengl M, Popowicz GM, Turło J (2020) Structure-activity relationship and cardiac safety of 2-aryl-2-(pyridin-2-yl)acetamides as a new class of broad-spectrum anticonvulsants derived from Disopyramide. Bioorganic chemistry, Vol. 98, 103717 DOI: 10.1016/j.bioorg.2020.103717, PubMed: 32171994 |
Trush MM, Kovalishyn V, Hodyna D, Golovchenko OV, Chumachenko S, Tetko IV, Brovarets VS, Metelytsia L (2020) In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii. Chemical biology & drug design, Issue 6, Vol. 95, 624-630 DOI: 10.1111/cbdd.13678, PubMed: 32168424 |
De Angelis M, Schriever SC, Kyriakou E, Sattler M, Messias AC, Schramm KW, Pfluger PT (2020) Detection and quantification of the anti-obesity drug celastrol in murine liver and brain. Neurochemistry international, Vol. 136, 104713 DOI: 10.1016/j.neuint.2020.104713, PubMed: 32151623 |
Barthelmes K, Ramcke E, Kang HS, Sattler M, Itzen A (2020) Conformational control of small GTPases by AMPylation. Proceedings of the National Academy of Sciences of the United States of America, Issue 11, Vol. 117, 5772-5781 DOI: 10.1073/pnas.1917549117, PubMed: 32123090 |
Ramanujam V, Alderson TR, Pritišanac I, Ying J, Bax A (2020) Protein structural changes characterized by high-pressure, pulsed field gradient diffusion NMR spectroscopy. Journal of magnetic resonance (San Diego, Calif. : 1997), Vol. 312, 106701 DOI: 10.1016/j.jmr.2020.106701, PubMed: 32113145 |
Tetko IV, Tropsha A (2020) Joint Virtual Special Issue on Computational Toxicology. Journal of chemical information and modeling, Issue 3, Vol. 60, 1069-1071 DOI: 10.1021/acs.jcim.0c00140, PubMed: 32101004 |
Denis M, Softley C, Giuntini S, Gentili M, Ravera E, Parigi G, Fragai M, Popowicz G, Sattler M, Luchinat C, Cerofolini L, Nativi C (2020) The Photocatalyzed Thiol-ene reaction: A New Tag to Yield Fast, Selective and reversible Paramagnetic Tagging of Proteins. Chemphyschem : a European journal of chemical physics and physical chemistry, Issue 9, Vol. 21, 863-869 DOI: 10.1002/cphc.202000071, PubMed: 32092218 |
Alderson TR, Ying J, Bax A, Benesch JLP, Baldwin AJ (2020) Conditional Disorder in Small Heat-shock Proteins. Journal of molecular biology, Issue 9, Vol. 432, 3033-3049 DOI: 10.1016/j.jmb.2020.02.003, PubMed: 32081587 |
Göttlicher M, Sattler M, Brönstrup M (2020) New Frontiers in Drug Discovery: Academia Meets Industry at the International Helmholtz Drug Discovery Conference (HDDC). ChemMedChem, Issue 5, Vol. 15, 468-470 DOI: 10.1002/cmdc.202000019, PubMed: 32080972 |
Mansouri K, Kleinstreuer N, Abdelaziz AM, Alberga D, Alves VM, Andersson PL, Andrade CH, Bai F, Balabin I, Ballabio D, Benfenati E, Bhhatarai B, Boyer S, Chen J, Consonni V, Farag S, Fourches D, García-Sosa AT, Gramatica P, Grisoni F, Grulke CM, Hong H, Horvath D, Hu X, Huang R, Jeliazkova N, Li J, Li X, Liu H, Manganelli S, Mangiatordi GF, Maran U, Marcou G, Martin T, Muratov E, Nguyen DT, Nicolotti O, Nikolov NG, Norinder U, Papa E, Petitjean M, Piir G, Pogodin P, Poroikov V, Qiao X, Richard AM, Roncaglioni A, Ruiz P, Rupakheti C, Sakkiah S, Sangion A, Schramm KW, Selvaraj C, Shah I, Sild S, Sun L, Taboureau O, Tang Y, Tetko IV, Todeschini R, Tong W, Trisciuzzi D, Tropsha A, Van Den Driessche G, Varnek A, Wang Z, Wedebye EB, Williams AJ, Xie H, Zakharov AV, Zheng Z, Judson RS (2020) CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity. Environmental health perspectives, Issue 2, Vol. 128, 27002 DOI: 10.1289/EHP5580, PubMed: 32074470 |
Johannesen KM, Mitter D, Janowski R, Roth C, Toulouse J, Poulat AL, Ville DM, Chatron N, Brilstra E, Geleijns K, Born AP, McLean S, Nugent K, Baynam G, Poulton C, Dreyer L, Gration D, Schulz S, Dieckmann A, Helbig KL, Merkenschlager A, Jamra R, Finck A, Gardella E, Hjalgrim H, Mirzaa G, Brancati F, Bierhals T, Denecke J, Hempel M, Lemke JR, Rubboli G, Muschke P, Guerrini R, Vetro A, Niessing D, Lesca G, Møller RS (2019) Defining and expanding the phenotype of QARS-associated developmental epileptic encephalopathy. Neurology. Genetics, Issue 6, Vol. 5, e373 DOI: 10.1212/NXG.0000000000000373, PubMed: 32042906 |
Häusler E, Fredriksson K, Goba I, Peters C, Raltchev K, Sperl L, Steiner A, Weinkauf S, Hagn F (2020) Quantifying the insertion of membrane proteins into lipid bilayer nanodiscs using a fusion protein strategy. Biochimica et biophysica acta. Biomembranes, Issue 4, Vol. 1862, 183190 DOI: 10.1016/j.bbamem.2020.183190, PubMed: 31935366 |
Solbak SMØ, Zang J, Narayanan D, Høj LJ, Bucciarelli S, Softley C, Meier S, Langkilde AE, Gotfredsen CH, Sattler M, Bach A (2020) Developing Inhibitors of the p47phox-p22phox Protein-Protein Interaction by Fragment-Based Drug Discovery. Journal of medicinal chemistry, Issue 3, Vol. 63, 1156-1177 DOI: 10.1021/acs.jmedchem.9b01492, PubMed: 31922756 |
Niu Z, Prade E, Malideli E, Hille K, Jussupow A, Mideksa YG, Yan LM, Qian C, Fleisch M, Messias AC, Sarkar R, Sattler M, Lamb DC, Feige MJ, Camilloni C, Kapurniotu A, Reif B (2020) Structural Insight into IAPP-Derived Amyloid Inhibitors and Their Mechanism of Action. Angewandte Chemie (International ed. in English), Issue 14, Vol. 59, 5771-5781 DOI: 10.1002/anie.201914559, PubMed: 31863711 |
Dawidowski M, Kalel VC, Napolitano V, Fino R, Schorpp K, Emmanouilidis L, Lenhart D, Ostertag M, Kaiser M, Kolonko M, Tippler B, Schliebs W, Dubin G, Mäser P, Tetko IV, Hadian K, Plettenburg O, Erdmann R, Sattler M, Popowicz GM (2020) Structure-Activity Relationship in Pyrazolo[4,3-c]pyridines, First Inhibitors of PEX14-PEX5 Protein-Protein Interaction with Trypanocidal Activity. Journal of medicinal chemistry, Issue 2, Vol. 63, 847-879 DOI: 10.1021/acs.jmedchem.9b01876, PubMed: 31860309 |
Alderson TR, Kay LE (2020) Unveiling invisible protein states with NMR spectroscopy. Current opinion in structural biology, Vol. 60, 39-49 DOI: 10.1016/j.sbi.2019.10.008, PubMed: 31835059 |
Pan C, Schoppe O, Parra-Damas A, Cai R, Todorov MI, Gondi G, von Neubeck B, Böğürcü-Seidel N, Seidel S, Sleiman K, Veltkamp C, Förstera B, Mai H, Rong Z, Trompak O, Ghasemigharagoz A, Reimer MA, Cuesta AM, Coronel J, Jeremias I, Saur D, Acker-Palmer A, Acker T, Garvalov BK, Menze B, Zeidler R, Ertürk A (2019) Deep Learning Reveals Cancer Metastasis and Therapeutic Antibody Targeting in the Entire Body. Cell, Issue 7, Vol. 179, 1661-1676.e19 DOI: 10.1016/j.cell.2019.11.013, PubMed: 31835038 |
Kaiser CJO, Peters C, Schmid PWN, Stavropoulou M, Zou J, Dahiya V, Mymrikov EV, Rockel B, Asami S, Haslbeck M, Rappsilber J, Reif B, Zacharias M, Buchner J, Weinkauf S (2019) The structure and oxidation of the eye lens chaperone αA-crystallin. Nature structural & molecular biology, Issue 12, Vol. 26, 1141-1150 DOI: 10.1038/s41594-019-0332-9, PubMed: 31792453 |
Klöpfer K, Hagn F (2019) Beyond detergent micelles: The advantages and applications of non-micellar and lipid-based membrane mimetics for solution-state NMR. Progress in nuclear magnetic resonance spectroscopy, Vol. 114-115, 271-283 DOI: 10.1016/j.pnmrs.2019.08.001, PubMed: 31779883 |
Abramenko N, Kustov L, Metelytsia L, Kovalishyn V, Tetko I, Peijnenburg W (2020) A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids. Journal of hazardous materials, Vol. 384, 121429 DOI: 10.1016/j.jhazmat.2019.121429, PubMed: 31732345 |
Asami S, Reif B (2019) Accessing Methyl Groups in Proteins via 1H-detected MAS Solid-state NMR Spectroscopy Employing Random Protonation. Scientific reports, Issue 1, Vol. 9, 15903 DOI: 10.1038/s41598-019-52383-3, PubMed: 31685894 |
Alterio V, Kellner M, Esposito D, Liesche-Starnecker F, Bua S, Supuran CT, Monti SM, Zeidler R, De Simone G (2019) Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex. Journal of molecular biology, Issue 24, Vol. 431, 4910-4921 DOI: 10.1016/j.jmb.2019.10.022, PubMed: 31682835 |
Xia Z, Karpov P, Popowicz G, Tetko IV (2020) Focused Library Generator: case of Mdmx inhibitors. Journal of computer-aided molecular design, Issue 7, Vol. 34, 769-782 DOI: 10.1007/s10822-019-00242-8, PubMed: 31677002 |
Pritišanac I, Würz JM, Alderson TR, Güntert P (2019) Automatic structure-based NMR methyl resonance assignment in large proteins. Nature communications, Issue 1, Vol. 10, 4922 DOI: 10.1038/s41467-019-12837-8, PubMed: 31664028 |
Doll S, Freitas FP, Shah R, Aldrovandi M, da Silva MC, Ingold I, Goya Grocin A, Xavier da Silva TN, Panzilius E, Scheel CH, Mourão A, Buday K, Sato M, Wanninger J, Vignane T, Mohana V, Rehberg M, Flatley A, Schepers A, Kurz A, White D, Sauer M, Sattler M, Tate EW, Schmitz W, Schulze A, O'Donnell V, Proneth B, Popowicz GM, Pratt DA, Angeli JPF, Conrad M (2019) FSP1 is a glutathione-independent ferroptosis suppressor. Nature, Issue 7784, Vol. 575, 693-698 DOI: 10.1038/s41586-019-1707-0, PubMed: 31634899 |
Zak KM, Kalińska M, Wątor E, Kuśka K, Krutyhołowa R, Dubin G, Popowicz GM, Grudnik P (2019) Crystal Structure of Kluyveromyces lactis Glucokinase (KlGlk1). International journal of molecular sciences, Issue 19, Vol. 20 DOI: 10.3390/ijms20194821, PubMed: 31569356 |
Jagtap PKA, Asami S, Sippel C, Kaila VRI, Hausch F, Sattler M (2019) Corrigendum: Selective Inhibitors of FKBP51 Employ Conformational Selection of Dynamic Invisible States. Angewandte Chemie (International ed. in English), Issue 39, Vol. 58, 13619 DOI: 10.1002/anie.201908888, PubMed: 31549791 |
Göbl C, Morris VK, van Dam L, Visscher M, Polderman PE, Hartlmüller C, de Ruiter H, Hora M, Liesinger L, Birner-Gruenberger R, Vos HR, Reif B, Madl T, Dansen TB (2020) Cysteine oxidation triggers amyloid fibril formation of the tumor suppressor p16INK4A. Redox biology, Vol. 28, 101316 DOI: 10.1016/j.redox.2019.101316, PubMed: 31539802 |
Xue K, Sarkar R, Tosner Z, Lalli D, Motz C, Koch B, Pintacuda G, Reif B (2019) MAS dependent sensitivity of different isotopomers in selectively methyl protonated protein samples in solid state NMR. Journal of biomolecular NMR, Issue 10-11, Vol. 73, 625-631 DOI: 10.1007/s10858-019-00274-0, PubMed: 31515660 |
Meier S, Bohnacker S, Klose CJ, Lopez A, Choe CA, Schmid PWN, Bloemeke N, Rührnößl F, Haslbeck M, Bieren JE, Sattler M, Huang PS, Feige MJ (2019) The molecular basis of chaperone-mediated interleukin 23 assembly control. Nature communications, Issue 1, Vol. 10, 4121 DOI: 10.1038/s41467-019-12006-x, PubMed: 31511508 |
Xue K, Mamone S, Koch B, Sarkar R, Reif B (2019) Determination of methyl order parameters using solid state NMR under off magic angle spinning. Journal of biomolecular NMR, Issue 8-9, Vol. 73, 471-475 DOI: 10.1007/s10858-019-00253-5, PubMed: 31407204 |
Girstmair H, Tippel F, Lopez A, Tych K, Stein F, Haberkant P, Schmid PWN, Helm D, Rief M, Sattler M, Buchner J (2019) The Hsp90 isoforms from S. cerevisiae differ in structure, function and client range. Nature communications, Issue 1, Vol. 10, 3626 DOI: 10.1038/s41467-019-11518-w, PubMed: 31399574 |
Hofmann T, Schmitt B, Mack B, Lang S, Gires O, Zeidler R (2004) New Target Genes for Tumor-derived Soluble Factors in Primary Monocytes. Cancer genomics & proteomics, Issue 2, Vol. 1, 167-176 PubMed: 31394681 |
Münz M, Hofmann T, Scheibe B, Gänge M, Junghanns KT, Zeidler R, Gires O (2004) The Carcinoma-associated Antigen EpCAM Induces Glyoxalase 1 Resulting in Enhanced Methylglyoxal Turnover. Cancer genomics & proteomics, Issue 3, Vol. 1, 241-248 PubMed: 31394659 |
Kalel VC, Li M, Gaussmann S, Delhommel F, Schäfer AB, Tippler B, Jung M, Maier R, Oeljeklaus S, Schliebs W, Warscheid B, Sattler M, Erdmann R (2019) Evolutionary divergent PEX3 is essential for glycosome biogenesis and survival of trypanosomatid parasites. Biochimica et biophysica acta. Molecular cell research, Issue 12, Vol. 1866, 118520 DOI: 10.1016/j.bbamcr.2019.07.015, PubMed: 31369765 |
Lingaraju M, Johnsen D, Schlundt A, Langer LM, Basquin J, Sattler M, Heick Jensen T, Falk S, Conti E (2019) The MTR4 helicase recruits nuclear adaptors of the human RNA exosome using distinct arch-interacting motifs. Nature communications, Issue 1, Vol. 10, 3393 DOI: 10.1038/s41467-019-11339-x, PubMed: 31358741 |
Jones AN, Sattler M (2019) Challenges and perspectives for structural biology of lncRNAs-the example of the Xist lncRNA A-repeats. Journal of molecular cell biology, Issue 10, Vol. 11, 845-859 DOI: 10.1093/jmcb/mjz086, PubMed: 31336384 |
Hassan L, Lin L, Sorek H, Sperl LE, Goudoulas T, Hagn F, Germann N, Tian C, Benz JP (2019) Crosstalk of Cellulose and Mannan Perception Pathways Leads to Inhibition of Cellulase Production in Several Filamentous Fungi. mBio, Issue 4, Vol. 10 DOI: 10.1128/mBio.00277-19, PubMed: 31266859 |
Kinting S, Li Y, Forstner M, Delhommel F, Sattler M, Griese M (2019) Potentiation of ABCA3 lipid transport function by ivacaftor and genistein. Journal of cellular and molecular medicine, Issue 8, Vol. 23, 5225-5234 DOI: 10.1111/jcmm.14397, PubMed: 31210424 |
Zeng B, Mou TC, Doukov TI, Steiner A, Yu W, Papasergi-Scott M, Tall GG, Hagn F, Sprang SR (2019) Structure, Function, and Dynamics of the Gα Binding Domain of Ric-8A. Structure (London, England : 1993), Issue 7, Vol. 27, 1137-1147.e5 DOI: 10.1016/j.str.2019.04.013, PubMed: 31155309 |
Collier MP, Alderson TR, de Villiers CP, Nicholls D, Gastall HY, Allison TM, Degiacomi MT, Jiang H, Mlynek G, Fürst DO, van der Ven PFM, Djinovic-Carugo K, Baldwin AJ, Watkins H, Gehmlich K, Benesch JLP (2019) HspB1 phosphorylation regulates its intramolecular dynamics and mechanosensitive molecular chaperone interaction with filamin C. Science advances, Issue 5, Vol. 5, eaav8421 DOI: 10.1126/sciadv.aav8421, PubMed: 31131323 |
von Gamm M, Schaub A, Jones AN, Wolf C, Behrens G, Lichti J, Essig K, Macht A, Pircher J, Ehrlich A, Davari K, Chauhan D, Busch B, Wurst W, Feederle R, Feuchtinger A, Tschöp MH, Friedel CC, Hauck SM, Sattler M, Geerlof A, Hornung V, Heissmeyer V, Schulz C, Heikenwalder M, Glasmacher E (2019) Immune homeostasis and regulation of the interferon pathway require myeloid-derived Regnase-3. The Journal of experimental medicine, Issue 7, Vol. 216, 1700-1723 DOI: 10.1084/jem.20181762, PubMed: 31126966 |
Schneider T, Hung LH, Aziz M, Wilmen A, Thaum S, Wagner J, Janowski R, Müller S, Schreiner S, Friedhoff P, Hüttelmaier S, Niessing D, Sattler M, Schlundt A, Bindereif A (2019) Combinatorial recognition of clustered RNA elements by the multidomain RNA-binding protein IMP3. Nature communications, Issue 1, Vol. 10, 2266 DOI: 10.1038/s41467-019-09769-8, PubMed: 31118463 |
Jagtap PKA, Asami S, Sippel C, Kaila VRI, Hausch F, Sattler M (2019) Selective Inhibitors of FKBP51 Employ Conformational Selection of Dynamic Invisible States. Angewandte Chemie (International ed. in English), Issue 28, Vol. 58, 9429-9433 DOI: 10.1002/anie.201902994, PubMed: 31100184 |
Tripsianes K, Schütz U, Emmanouilidis L, Gemmecker G, Sattler M (2019) Selective isotope labeling for NMR structure determination of proteins in complex with unlabeled ligands. Journal of biomolecular NMR, Issue 3-4, Vol. 73, 183-189 DOI: 10.1007/s10858-019-00241-9, PubMed: 31041647 |
Ostertag MS, Hutwelker W, Plettenburg O, Sattler M, Popowicz GM (2019) Structural Insights into BET Client Recognition of Endometrial and Prostate Cancer-Associated SPOP Mutants. Journal of molecular biology, Issue 11, Vol. 431, 2213-2221 DOI: 10.1016/j.jmb.2019.04.017, PubMed: 31026449 |
Reulen HJ, Suero Molina E, Zeidler R, Gildehaus FJ, Böning G, Gosewisch A, Stummer W (2019) Intracavitary radioimmunotherapy of high-grade gliomas: present status and future developments. Acta neurochirurgica, Issue 6, Vol. 161, 1109-1124 DOI: 10.1007/s00701-019-03882-9, PubMed: 30980242 |
Heber S, Gáspár I, Tants JN, Günther J, Moya SMF, Janowski R, Ephrussi A, Sattler M, Niessing D (2019) Staufen2-mediated RNA recognition and localization requires combinatorial action of multiple domains. Nature communications, Issue 1, Vol. 10, 1659 DOI: 10.1038/s41467-019-09655-3, PubMed: 30971701 |
Huang W, Lan D, Popowicz GM, Zak KM, Zhao Z, Yuan H, Yang B, Wang Y (2019) Structure and characterization of Aspergillus fumigatus lipase B with a unique, oversized regulatory subdomain. The FEBS journal, Issue 12, Vol. 286, 2366-2380 DOI: 10.1111/febs.14814, PubMed: 30908847 |
Pabis M, Corsini L, Vincendeau M, Tripsianes K, Gibson TJ, Brack-Werner R, Sattler M (2019) Modulation of HIV-1 gene expression by binding of a ULM motif in the Rev protein to UHM-containing splicing factors. Nucleic acids research, Issue 9, Vol. 47, 4859-4871 DOI: 10.1093/nar/gkz185, PubMed: 30892606 |
Schopf FH, Huber EM, Dodt C, Lopez A, Biebl MM, Rutz DA, Mühlhofer M, Richter G, Madl T, Sattler M, Groll M, Buchner J (2019) The Co-chaperone Cns1 and the Recruiter Protein Hgh1 Link Hsp90 to Translation Elongation via Chaperoning Elongation Factor 2. Molecular cell, Issue 1, Vol. 74, 73-87.e8 DOI: 10.1016/j.molcel.2019.02.011, PubMed: 30876805 |
Alderson TR, Roche J, Gastall HY, Dias DM, Pritišanac I, Ying J, Bax A, Benesch JLP, Baldwin AJ (2019) Local unfolding of the HSP27 monomer regulates chaperone activity. Nature communications, Issue 1, Vol. 10, 1068 DOI: 10.1038/s41467-019-08557-8, PubMed: 30842409 |
Gärtner K, Luckner M, Wanner G, Zeidler R (2019) Engineering extracellular vesicles as novel treatment options: exploiting herpesviral immunity in CLL. Journal of extracellular vesicles, Issue 1, Vol. 8, 1573051 DOI: 10.1080/20013078.2019.1573051, PubMed: 30788083 |
Tan H, Su W, Zhang W, Wang P, Sattler M, Zou P (2018) Recent Advances in Half-life Extension Strategies for Therapeutic Peptides and Proteins. Current pharmaceutical design, Issue 41, Vol. 24, 4932-4946 DOI: 10.2174/1381612825666190206105232, PubMed: 30727869 |
Xue K, Mühlbauer M, Mamone S, Sarkar R, Reif B (2019) Accurate Determination of 1 H-15 N Dipolar Couplings Using Inaccurate Settings of the Magic Angle in Solid-State NMR Spectroscopy. Angewandte Chemie (International ed. in English), Issue 13, Vol. 58, 4286-4290 DOI: 10.1002/anie.201814314, PubMed: 30694593 |
Pfuhlmann K, Schriever SC, Baumann P, Kabra DG, Harrison L, Mazibuko-Mbeje SE, Contreras RE, Kyriakou E, Simonds SE, Tiganis T, Cowley MA, Woods SC, Jastroch M, Clemmensen C, De Angelis M, Schramm KW, Sattler M, Messias AC, Tschöp MH, Pfluger PT (2019) Erratum. Celastrol-Induced Weight Loss Is Driven by Hypophagia and Independent From UCP1. Diabetes 2018;67:2456-2465. Diabetes, Issue 3, Vol. 68, 676 DOI: 10.2337/db19-er03a, PubMed: 30635274 |
Danisch S, Slabik C, Cornelius A, Albanese M, Tagawa T, Chen YA, Krönke N, Eiz-Vesper B, Lienenklaus S, Bleich A, Theobald SJ, Schneider A, Ganser A, von Kaisenberg C, Zeidler R, Hammerschmidt W, Feuerhake F, Stripecke R (2019) Spatiotemporally Skewed Activation of Programmed Cell Death Receptor 1-Positive T Cells after Epstein-Barr Virus Infection and Tumor Development in Long-Term Fully Humanized Mice. The American journal of pathology, Issue 3, Vol. 189, 521-539 DOI: 10.1016/j.ajpath.2018.11.014, PubMed: 30593822 |
Sosnin S, Karlov D, Tetko IV, Fedorov MV (2019) Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space. Journal of chemical information and modeling, Issue 3, Vol. 59, 1062-1072 DOI: 10.1021/acs.jcim.8b00685, PubMed: 30589269 |
Goricanec D, Hagn F (2019) NMR backbone and methyl resonance assignments of an inhibitory G-alpha subunit in complex with GDP. Biomolecular NMR assignments, Issue 1, Vol. 13, 131-137 DOI: 10.1007/s12104-018-9865-9, PubMed: 30539422 |
Mariappan A, Soni K, Schorpp K, Zhao F, Minakar A, Zheng X, Mandad S, Macheleidt I, Ramani A, Kubelka T, Dawidowski M, Golfmann K, Wason A, Yang C, Simons J, Schmalz HG, Hyman AA, Aneja R, Ullrich R, Urlaub H, Odenthal M, Büttner R, Li H, Sattler M, Hadian K, Gopalakrishnan J (2019) Inhibition of CPAP-tubulin interaction prevents proliferation of centrosome-amplified cancer cells. The EMBO journal, Issue 2, Vol. 38, e99876 DOI: 10.15252/embj.201899876, PubMed: 30530478 |
Kyriakou E, Schmidt S, Dodd GT, Pfuhlmann K, Simonds SE, Lenhart D, Geerlof A, Schriever SC, De Angelis M, Schramm KW, Plettenburg O, Cowley MA, Tiganis T, Tschöp MH, Pfluger PT, Sattler M, Messias AC (2018) Celastrol Promotes Weight Loss in Diet-Induced Obesity by Inhibiting the Protein Tyrosine Phosphatases PTP1B and TCPTP in the Hypothalamus. Journal of medicinal chemistry, Issue 24, Vol. 61, 11144-11157 DOI: 10.1021/acs.jmedchem.8b01224, PubMed: 30525586 |
Sosnin S, Vashurina M, Withnall M, Karpov P, Fedorov M, Tetko IV (2019) A Survey of Multi-task Learning Methods in Chemoinformatics. Molecular informatics, Issue 4, Vol. 38, e1800108 DOI: 10.1002/minf.201800108, PubMed: 30499195 |
Kalel VC, Mäser P, Sattler M, Erdmann R, Popowicz GM (2018) Come, sweet death: targeting glycosomal protein import for antitrypanosomal drug development. Current opinion in microbiology, Vol. 46, 116-122 DOI: 10.1016/j.mib.2018.11.003, PubMed: 30481613 |
Gimadiev T, Madzhidov T, Tetko I, Nugmanov R, Casciuc I, Klimchuk O, Bodrov A, Polishchuk P, Antipin I, Varnek A (2019) Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis. Molecular informatics, Issue 4, Vol. 38, e1800104 DOI: 10.1002/minf.201800104, PubMed: 30468317 |
Ostertag MS, Messias AC, Sattler M, Popowicz GM (2019) The Structure of the SPOP-Pdx1 Interface Reveals Insights into the Phosphorylation-Dependent Binding Regulation. Structure (London, England : 1993), Issue 2, Vol. 27, 327-334.e3 DOI: 10.1016/j.str.2018.10.005, PubMed: 30449689 |
Pabis M, Popowicz GM, Stehle R, Fernández-Ramos D, Asami S, Warner L, García-Mauriño SM, Schlundt A, Martínez-Chantar ML, Díaz-Moreno I, Sattler M (2019) HuR biological function involves RRM3-mediated dimerization and RNA binding by all three RRMs. Nucleic acids research, Issue 2, Vol. 47, 1011-1029 DOI: 10.1093/nar/gky1138, PubMed: 30418581 |
Weber B, Hora M, Kazman P, Göbl C, Camilloni C, Reif B, Buchner J (2018) The Antibody Light-Chain Linker Regulates Domain Orientation and Amyloidogenicity. Journal of molecular biology, Issue 24, Vol. 430, 4925-4940 DOI: 10.1016/j.jmb.2018.10.024, PubMed: 30414962 |
Pustuła M, Czub M, Łabuzek B, Surmiak E, Tomala M, Twarda-Clapa A, Guzik K, Popowicz GM, Holak TA (2019) NMR fragment-based screening for development of the CD44-binding small molecules. Bioorganic chemistry, Vol. 82, 284-289 DOI: 10.1016/j.bioorg.2018.10.043, PubMed: 30396062 |
Reif MM, Fischer M, Fredriksson K, Hagn F, Zacharias M (2019) The N-Terminal Segment of the Voltage-Dependent Anion Channel: A Possible Membrane-Bound Intermediate in Pore Unbinding. Journal of molecular biology, Issue 2, Vol. 431, 223-243 DOI: 10.1016/j.jmb.2018.09.015, PubMed: 30339869 |
Fuenzalida-Werner JP, Janowski R, Mishra K, Weidenfeld I, Niessing D, Ntziachristos V, Stiel AC (2018) Crystal structure of a biliverdin-bound phycobiliprotein: Interdependence of oligomerization and chromophorylation. Journal of structural biology, Issue 3, Vol. 204, 519-522 DOI: 10.1016/j.jsb.2018.09.013, PubMed: 30287387 |
Harrison L, Schriever SC, Feuchtinger A, Kyriakou E, Baumann P, Pfuhlmann K, Messias AC, Walch A, Tschöp MH, Pfluger PT (2019) Fluorescent blood-brain barrier tracing shows intact leptin transport in obese mice. International journal of obesity (2005), Issue 6, Vol. 43, 1305-1318 DOI: 10.1038/s41366-018-0221-z, PubMed: 30283080 |
Essig K, Kronbeck N, Guimaraes JC, Lohs C, Schlundt A, Hoffmann A, Behrens G, Brenner S, Kowalska J, Lopez-Rodriguez C, Jemielity J, Holtmann H, Reiche K, Hackermüller J, Sattler M, Zavolan M, Heissmeyer V (2018) Roquin targets mRNAs in a 3'-UTR-specific manner by different modes of regulation. Nature communications, Issue 1, Vol. 9, 3810 DOI: 10.1038/s41467-018-06184-3, PubMed: 30232334 |
Weber B, Brandl MJ, Pulido Cendales MD, Berner C, Pradhan T, Feind GM, Zacharias M, Reif B, Buchner J (2018) A single residue switch reveals principles of antibody domain integrity. The Journal of biological chemistry, Issue 44, Vol. 293, 17107-17118 DOI: 10.1074/jbc.RA118.005475, PubMed: 30228183 |
Pfuhlmann K, Schriever SC, Baumann P, Kabra DG, Harrison L, Mazibuko-Mbeje SE, Contreras RE, Kyriakou E, Simonds SE, Tiganis T, Cowley MA, Woods SC, Jastroch M, Clemmensen C, De Angelis M, Schramm KW, Sattler M, Messias AC, Tschöp MH, Pfluger PT (2018) Celastrol-Induced Weight Loss Is Driven by Hypophagia and Independent From UCP1. Diabetes, Issue 11, Vol. 67, 2456-2465 DOI: 10.2337/db18-0146, PubMed: 30158241 |
Tošner Z, Sarkar R, Becker-Baldus J, Glaubitz C, Wegner S, Engelke F, Glaser SJ, Reif B (2018) Overcoming Volume Selectivity of Dipolar Recoupling in Biological Solid-State NMR Spectroscopy. Angewandte Chemie (International ed. in English), Issue 44, Vol. 57, 14514-14518 DOI: 10.1002/anie.201805002, PubMed: 29989288 |
Cristóvão JS, Morris VK, Cardoso I, Leal SS, Martínez J, Botelho HM, Göbl C, David R, Kierdorf K, Alemi M, Madl T, Fritz G, Reif B, Gomes CM (2018) The neuronal S100B protein is a calcium-tuned suppressor of amyloid-β aggregation. Science advances, Issue 6, Vol. 4, eaaq1702 DOI: 10.1126/sciadv.aaq1702, PubMed: 29963623 |
Brenke JK, Popowicz GM, Schorpp K, Rothenaigner I, Roesner M, Meininger I, Kalinski C, Ringelstetter L, R'kyek O, Jürjens G, Vincendeau M, Plettenburg O, Sattler M, Krappmann D, Hadian K (2018) Targeting TRAF6 E3 ligase activity with a small-molecule inhibitor combats autoimmunity. The Journal of biological chemistry, Issue 34, Vol. 293, 13191-13203 DOI: 10.1074/jbc.RA118.002649, PubMed: 29950522 |
Miehling J, Goricanec D, Hagn F (2018) A Split-Intein-Based Method for the Efficient Production of Circularized Nanodiscs for Structural Studies of Membrane Proteins. Chembiochem : a European journal of chemical biology, Issue 18, Vol. 19, 1927-1933 DOI: 10.1002/cbic.201800345, PubMed: 29947468 |
Kooshapur H, Choudhury NR, Simon B, Mühlbauer M, Jussupow A, Fernandez N, Jones AN, Dallmann A, Gabel F, Camilloni C, Michlewski G, Caceres JF, Sattler M (2018) Structural basis for terminal loop recognition and stimulation of pri-miRNA-18a processing by hnRNP A1. Nature communications, Issue 1, Vol. 9, 2479 DOI: 10.1038/s41467-018-04871-9, PubMed: 29946118 |
Kazokaitė J, Niemans R, Dudutienė V, Becker HM, Leitāns J, Zubrienė A, Baranauskienė L, Gondi G, Zeidler R, Matulienė J, Tārs K, Yaromina A, Lambin P, Dubois LJ, Matulis D (2018) Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, Issue 42, Vol. 9, 26800-26816 DOI: 10.18632/oncotarget.25508, PubMed: 29928486 |
Charlier C, Courtney JM, Alderson TR, Anfinrud P, Bax A (2018) Monitoring 15N Chemical Shifts During Protein Folding by Pressure-Jump NMR. Journal of the American Chemical Society, Issue 26, Vol. 140, 8096-8099 DOI: 10.1021/jacs.8b04833, PubMed: 29923716 |
von Neubeck B, Gondi G, Riganti C, Pan C, Parra Damas A, Scherb H, Ertürk A, Zeidler R (2018) An inhibitory antibody targeting carbonic anhydrase XII abrogates chemoresistance and significantly reduces lung metastases in an orthotopic breast cancer model in vivo. International journal of cancer, Issue 8, Vol. 143, 2065-2075 DOI: 10.1002/ijc.31607, PubMed: 29786141 |
Iuso A, Wiersma M, Schüller HJ, Pode-Shakked B, Marek-Yagel D, Grigat M, Schwarzmayr T, Berutti R, Alhaddad B, Kanon B, Grzeschik NA, Okun JG, Perles Z, Salem Y, Barel O, Vardi A, Rubinshtein M, Tirosh T, Dubnov-Raz G, Messias AC, Terrile C, Barshack I, Volkov A, Avivi C, Eyal E, Mastantuono E, Kumbar M, Abudi S, Braunisch M, Strom TM, Meitinger T, Hoffmann GF, Prokisch H, Haack TB, Brundel BJJM, Haas D, Sibon OCM, Anikster Y (2018) Mutations in PPCS, Encoding Phosphopantothenoylcysteine Synthetase, Cause Autosomal-Recessive Dilated Cardiomyopathy. American journal of human genetics, Issue 6, Vol. 102, 1018-1030 DOI: 10.1016/j.ajhg.2018.03.022, PubMed: 29754768 |
Tretter JY, Schorpp K, Luxenburger E, Trambauer J, Steiner H, Hadian K, Gires O, Niessing D (2018) A high-content screen for small-molecule regulators of epithelial cell-adhesion molecule (EpCAM) cleavage yields a robust inhibitor. The Journal of biological chemistry, Issue 23, Vol. 293, 8994-9005 DOI: 10.1074/jbc.RA118.002776, PubMed: 29700109 |
Hofweber M, Hutten S, Bourgeois B, Spreitzer E, Niedner-Boblenz A, Schifferer M, Ruepp MD, Simons M, Niessing D, Madl T, Dormann D (2018) Phase Separation of FUS Is Suppressed by Its Nuclear Import Receptor and Arginine Methylation. Cell, Issue 3, Vol. 173, 706-719.e13 DOI: 10.1016/j.cell.2018.03.004, PubMed: 29677514 |
Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV (2018) Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays. Journal of chemical information and modeling, Issue 5, Vol. 58, 933-942 DOI: 10.1021/acs.jcim.7b00574, PubMed: 29667823 |
Fiedler L, Kellner M, Oos R, Böning G, Ziegler S, Bartenstein P, Zeidler R, Gildehaus FJ, Lindner S (2018) Fully Automated Production and Characterization of 64 Cu and Proof-of-Principle Small-Animal PET Imaging Using 64 Cu-Labelled CA XII Targeting 6A10 Fab. ChemMedChem, Issue 12, Vol. 13, 1230-1237 DOI: 10.1002/cmdc.201800130, PubMed: 29667369 |
Charlier C, Alderson TR, Courtney JM, Ying J, Anfinrud P, Bax A (2018) Study of protein folding under native conditions by rapidly switching the hydrostatic pressure inside an NMR sample cell. Proceedings of the National Academy of Sciences of the United States of America, Issue 18, Vol. 115, E4169-E4178 DOI: 10.1073/pnas.1803642115, PubMed: 29666248 |
Rutz DA, Luo Q, Freiburger L, Madl T, Kaila VRI, Sattler M, Buchner J (2018) A switch point in the molecular chaperone Hsp90 responding to client interaction. Nature communications, Issue 1, Vol. 9, 1472 DOI: 10.1038/s41467-018-03946-x, PubMed: 29662162 |
Sutandy FXR, Ebersberger S, Huang L, Busch A, Bach M, Kang HS, Fallmann J, Maticzka D, Backofen R, Stadler PF, Zarnack K, Sattler M, Legewie S, König J (2018) In vitro iCLIP-based modeling uncovers how the splicing factor U2AF2 relies on regulation by cofactors. Genome research, Issue 5, Vol. 28, 699-713 DOI: 10.1101/gr.229757.117, PubMed: 29643205 |
Barbet-Massin E, van der Sluis E, Musial J, Beckmann R, Reif B (2018) Reconstitution of Isotopically Labeled Ribosomal Protein L29 in the 50S Large Ribosomal Subunit for Solution-State and Solid-State NMR. Methods in molecular biology (Clifton, N.J.), Vol. 1764, 87-100 DOI: 10.1007/978-1-4939-7759-8_6, PubMed: 29605910 |
Gärtner K, Battke C, Dünzkofer J, Hüls C, von Neubeck B, Kellner MK, Fiestas E, Fackler S, Lang S, Zeidler R (2018) Tumor-derived extracellular vesicles activate primary monocytes. Cancer medicine, Issue 5, Vol. 7, 2013-2020 DOI: 10.1002/cam4.1465, PubMed: 29601673 |
Kovalishyn V, Grouleff J, Semenyuta I, Sinenko VO, Slivchuk SR, Hodyna D, Brovarets V, Blagodatny V, Poda G, Tetko IV, Metelytsia L (2018) Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing. Chemical biology & drug design, Issue 1, Vol. 92, 1272-1278 DOI: 10.1111/cbdd.13188, PubMed: 29536635 |
Tomala MD, Magiera-Mularz K, Kubica K, Krzanik S, Zieba B, Musielak B, Pustula M, Popowicz GM, Sattler M, Dubin G, Skalniak L, Holak TA (2018) Identification of small-molecule inhibitors of USP2a. European journal of medicinal chemistry, Vol. 150, 261-267 DOI: 10.1016/j.ejmech.2018.03.009, PubMed: 29529503 |
Asami S, Kallies W, Günther JC, Stavropoulou M, Glaser SJ, Sattler M (2018) Ultrashort Broadband Cooperative Pulses for Multidimensional Biomolecular NMR Experiments. Angewandte Chemie (International ed. in English), Issue 44, Vol. 57, 14498-14502 DOI: 10.1002/anie.201800220, PubMed: 29508496 |
Raltchev K, Pipercevic J, Hagn F (2018) Production and Structural Analysis of Membrane-Anchored Proteins in Phospholipid Nanodiscs. Chemistry (Weinheim an der Bergstrasse, Germany), Issue 21, Vol. 24, 5493-5499 DOI: 10.1002/chem.201800812, PubMed: 29457664 |
Close W, Neumann M, Schmidt A, Hora M, Annamalai K, Schmidt M, Reif B, Schmidt V, Grigorieff N, Fändrich M (2018) Physical basis of amyloid fibril polymorphism. Nature communications, Issue 1, Vol. 9, 699 DOI: 10.1038/s41467-018-03164-5, PubMed: 29453354 |
Rehage N, Davydova E, Conrad C, Behrens G, Maiser A, Stehklein JE, Brenner S, Klein J, Jeridi A, Hoffmann A, Lee E, Dianzani U, Willemsen R, Feederle R, Reiche K, Hackermüller J, Leonhardt H, Sharma S, Niessing D, Heissmeyer V (2018) Binding of NUFIP2 to Roquin promotes recognition and regulation of ICOS mRNA. Nature communications, Issue 1, Vol. 9, 299 DOI: 10.1038/s41467-017-02582-1, PubMed: 29352114 |
Franko A, Rodriguez Camargo DC, Böddrich A, Garg D, Rodriguez Camargo A, Rathkolb B, Janik D, Aichler M, Feuchtinger A, Neff F, Fuchs H, Wanker EE, Reif B, Häring HU, Peter A, Hrabě de Angelis M (2018) Epigallocatechin gallate (EGCG) reduces the intensity of pancreatic amyloid fibrils in human islet amyloid polypeptide (hIAPP) transgenic mice. Scientific reports, Issue 1, Vol. 8, 1116 DOI: 10.1038/s41598-017-18807-8, PubMed: 29348618 |
Colaluca IN, Basile A, Freiburger L, D'Uva V, Disalvatore D, Vecchi M, Confalonieri S, Tosoni D, Cecatiello V, Malabarba MG, Yang CJ, Kainosho M, Sattler M, Mapelli M, Pece S, Di Fiore PP (2018) A Numb-Mdm2 fuzzy complex reveals an isoform-specific involvement of Numb in breast cancer. The Journal of cell biology, Issue 2, Vol. 217, 745-762 DOI: 10.1083/jcb.201709092, PubMed: 29269425 |
Hagn F, Nasr ML, Wagner G (2018) Assembly of phospholipid nanodiscs of controlled size for structural studies of membrane proteins by NMR. Nature protocols, Issue 1, Vol. 13, 79-98 DOI: 10.1038/nprot.2017.094, PubMed: 29215632 |
Rodriguez Camargo DC, Korshavn KJ, Jussupow A, Raltchev K, Goricanec D, Fleisch M, Sarkar R, Xue K, Aichler M, Mettenleiter G, Walch AK, Camilloni C, Hagn F, Reif B, Ramamoorthy A (2017) Stabilization and structural analysis of a membrane-associated hIAPP aggregation intermediate. eLife, Vol. 6 DOI: 10.7554/eLife.31226, PubMed: 29148426 |
Reijnders MRF, Janowski R, Alvi M, Self JE, van Essen TJ, Vreeburg M, Rouhl RPW, Stevens SJC, Stegmann APA, Schieving J, Pfundt R, van Dijk K, Smeets E, Stumpel CTRM, Bok LA, Cobben JM, Engelen M, Mansour S, Whiteford M, Chandler KE, Douzgou S, Cooper NS, Tan EC, Foo R, Lai AHM, Rankin J, Green A, Lönnqvist T, Isohanni P, Williams S, Ruhoy I, Carvalho KS, Dowling JJ, Lev DL, Sterbova K, Lassuthova P, Neupauerová J, Waugh JL, Keros S, Clayton-Smith J, Smithson SF, Brunner HG, van Hoeckel C, Anderson M, Clowes VE, Siu VM, Ddd Study T, Selber P, Leventer RJ, Nellaker C, Niessing D, Hunt D, Baralle D (2018) PURA syndrome: clinical delineation and genotype-phenotype study in 32 individuals with review of published literature. Journal of medical genetics, Issue 2, Vol. 55, 104-113 DOI: 10.1136/jmedgenet-2017-104946, PubMed: 29097605 |
Alderson TR, Lee JH, Charlier C, Ying J, Bax A (2018) Propensity for cis-Proline Formation in Unfolded Proteins. Chembiochem : a European journal of chemical biology, Issue 1, Vol. 19, 37-42 DOI: 10.1002/cbic.201700548, PubMed: 29064600 |
Tants JN, Fesser S, Kern T, Stehle R, Geerlof A, Wunderlich C, Juen M, Hartlmüller C, Böttcher R, Kunzelmann S, Lange O, Kreutz C, Förstemann K, Sattler M (2017) Molecular basis for asymmetry sensing of siRNAs by the Drosophila Loqs-PD/Dcr-2 complex in RNA interference. Nucleic acids research, Issue 21, Vol. 45, 12536-12550 DOI: 10.1093/nar/gkx886, PubMed: 29040648 |
Niessing D, Jansen RP, Pohlmann T, Feldbrügge M (2018) mRNA transport in fungal top models. Wiley interdisciplinary reviews. RNA, Issue 1, Vol. 9 DOI: 10.1002/wrna.1453, PubMed: 28994236 |
Supekar S, Papageorgiou AC, Gemmecker G, Peltzer R, Johansson MP, Tripsianes K, Sattler M, Kaila VRI (2018) Conformational Selection of Dimethylarginine Recognition by the Survival Motor Neuron Tudor Domain. Angewandte Chemie (International ed. in English), Issue 2, Vol. 57, 486-490 DOI: 10.1002/anie.201708233, PubMed: 28980372 |
Tošner Z, Purea A, Struppe JO, Wegner S, Engelke F, Glaser SJ, Reif B (2017) Radiofrequency fields in MAS solid state NMR probes. Journal of magnetic resonance (San Diego, Calif. : 1997), Vol. 284, 20-32 DOI: 10.1016/j.jmr.2017.09.002, PubMed: 28946058 |
Tausch F, Dietrich R, Schauer K, Janowski R, Niessing D, Märtlbauer E, Jessberger N (2017) Evidence for Complex Formation of the Bacillus cereus Haemolysin BL Components in Solution. Toxins, Issue 9, Vol. 9 DOI: 10.3390/toxins9090288, PubMed: 28926954 |
Falk S, Tants JN, Basquin J, Thoms M, Hurt E, Sattler M, Conti E (2017) Structural insights into the interaction of the nuclear exosome helicase Mtr4 with the preribosomal protein Nop53. RNA (New York, N.Y.), Issue 12, Vol. 23, 1780-1787 DOI: 10.1261/rna.062901.117, PubMed: 28883156 |
Stiegler SC, Rübbelke M, Korotkov VS, Weiwad M, John C, Fischer G, Sieber SA, Sattler M, Buchner J (2017) A chemical compound inhibiting the Aha1-Hsp90 chaperone complex. The Journal of biological chemistry, Issue 41, Vol. 292, 17073-17083 DOI: 10.1074/jbc.M117.797829, PubMed: 28851842 |
Asami S, Reif B (2017) Comparative Study of REDOR and CPPI Derived Order Parameters by 1H-Detected MAS NMR and MD Simulations. The journal of physical chemistry. B, Issue 37, Vol. 121, 8719-8730 DOI: 10.1021/acs.jpcb.7b06812, PubMed: 28841025 |
Tan H, Su W, Wang P, Zhang W, Sattler M, Zou P (2017) Expression and purification of a difficult sarcomeric protein: Telethonin. Protein expression and purification, Vol. 140, 74-80 DOI: 10.1016/j.pep.2017.08.007, PubMed: 28811266 |
Kovalishyn V, Abramenko N, Kopernyk I, Charochkina L, Metelytsia L, Tetko IV, Peijnenburg W, Kustov L (2018) Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, Vol. 112, 507-517 DOI: 10.1016/j.fct.2017.08.008, PubMed: 28802948 |
Sánchez-Rico C, Voith von Voithenberg L, Warner L, Lamb DC, Sattler M (2017) Effects of Fluorophore Attachment on Protein Conformation and Dynamics Studied by spFRET and NMR Spectroscopy. Chemistry (Weinheim an der Bergstrasse, Germany), Issue 57, Vol. 23, 14267-14277 DOI: 10.1002/chem.201702423, PubMed: 28799205 |
Xue K, Sarkar R, Motz C, Asami S, Camargo DCR, Decker V, Wegner S, Tosner Z, Reif B (2017) Limits of Resolution and Sensitivity of Proton Detected MAS Solid-State NMR Experiments at 111 kHz in Deuterated and Protonated Proteins. Scientific reports, Issue 1, Vol. 7, 7444 DOI: 10.1038/s41598-017-07253-1, PubMed: 28785098 |
Alderson TR, Charlier C, Torchia DA, Anfinrud P, Bax A (2017) Monitoring Hydrogen Exchange During Protein Folding by Fast Pressure Jump NMR Spectroscopy. Journal of the American Chemical Society, Issue 32, Vol. 139, 11036-11039 DOI: 10.1021/jacs.7b06676, PubMed: 28766333 |
Hora M, Sarkar R, Morris V, Xue K, Prade E, Harding E, Buchner J, Reif B (2017) MAK33 antibody light chain amyloid fibrils are similar to oligomeric precursors. PloS one, Issue 7, Vol. 12, e0181799 DOI: 10.1371/journal.pone.0181799, PubMed: 28746363 |
Hartlmüller C, Günther JC, Wolter AC, Wöhnert J, Sattler M, Madl T (2017) RNA structure refinement using NMR solvent accessibility data. Scientific reports, Issue 1, Vol. 7, 5393 DOI: 10.1038/s41598-017-05821-z, PubMed: 28710477 |
Kalel VC, Emmanouilidis L, Dawidowski M, Schliebs W, Sattler M, Popowicz GM, Erdmann R (2017) Inhibitors of glycosomal protein import provide new leads against trypanosomiasis. Microbial cell (Graz, Austria), Issue 7, Vol. 4, 229-232 DOI: 10.15698/mic2017.07.581, PubMed: 28706938 |
Pritišanac I, Degiacomi MT, Alderson TR, Carneiro MG, Ab E, Siegal G, Baldwin AJ (2017) Automatic Assignment of Methyl-NMR Spectra of Supramolecular Machines Using Graph Theory. Journal of the American Chemical Society, Issue 28, Vol. 139, 9523-9533 DOI: 10.1021/jacs.6b11358, PubMed: 28691806 |
Withnall M, Chen H, Tetko IV (2018) Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective. ChemMedChem, Issue 6, Vol. 13, 599-606 DOI: 10.1002/cmdc.201700303, PubMed: 28650584 |
Sonntag M, Jagtap PKA, Simon B, Appavou MS, Geerlof A, Stehle R, Gabel F, Hennig J, Sattler M (2017) Segmental, Domain-Selective Perdeuteration and Small-Angle Neutron Scattering for Structural Analysis of Multi-Domain Proteins. Angewandte Chemie (International ed. in English), Issue 32, Vol. 56, 9322-9325 DOI: 10.1002/anie.201702904, PubMed: 28636238 |
Alderson TR, Benesch JLP, Baldwin AJ (2017) Proline isomerization in the C-terminal region of HSP27. Cell stress & chaperones, Issue 4, Vol. 22, 639-651 DOI: 10.1007/s12192-017-0791-z, PubMed: 28547731 |
Zhou P, Lan D, Popowicz GM, Wang X, Yang B, Wang Y (2017) Enhancing H2O2 resistance of an esterase from Pyrobaculum calidifontis by structure-guided engineering of the substrate binding site. Applied microbiology and biotechnology, Issue 14, Vol. 101, 5689-5697 DOI: 10.1007/s00253-017-8299-0, PubMed: 28516207 |
Schlundt A, Buchner S, Janowski R, Heydenreich T, Heermann R, Lassak J, Geerlof A, Stehle R, Niessing D, Jung K, Sattler M (2017) Structure-function analysis of the DNA-binding domain of a transmembrane transcriptional activator. Scientific reports, Issue 1, Vol. 7, 1051 DOI: 10.1038/s41598-017-01031-9, PubMed: 28432336 |
Schlundt A, Tants JN, Sattler M (2017) Integrated structural biology to unravel molecular mechanisms of protein-RNA recognition. Methods (San Diego, Calif.), Vol. 118-119, 119-136 DOI: 10.1016/j.ymeth.2017.03.015, PubMed: 28315749 |
Rodriguez Camargo DC, Tripsianes K, Buday K, Franko A, Göbl C, Hartlmüller C, Sarkar R, Aichler M, Mettenleiter G, Schulz M, Böddrich A, Erck C, Martens H, Walch AK, Madl T, Wanker EE, Conrad M, de Angelis MH, Reif B (2017) The redox environment triggers conformational changes and aggregation of hIAPP in Type II Diabetes. Scientific reports, Vol. 7, 44041 DOI: 10.1038/srep44041, PubMed: 28287098 |
Emmanouilidis L, Schütz U, Tripsianes K, Madl T, Radke J, Rucktäschel R, Wilmanns M, Schliebs W, Erdmann R, Sattler M (2017) Allosteric modulation of peroxisomal membrane protein recognition by farnesylation of the peroxisomal import receptor PEX19. Nature communications, Vol. 8, 14635 DOI: 10.1038/ncomms14635, PubMed: 28281558 |
Hora M, Carballo-Pacheco M, Weber B, Morris VK, Wittkopf A, Buchner J, Strodel B, Reif B (2017) Epigallocatechin-3-gallate preferentially induces aggregation of amyloidogenic immunoglobulin light chains. Scientific reports, Vol. 7, 41515 DOI: 10.1038/srep41515, PubMed: 28128355 |
Edelmann FT, Schlundt A, Heym RG, Jenner A, Niedner-Boblenz A, Syed MI, Paillart JC, Stehle R, Janowski R, Sattler M, Jansen RP, Niessing D (2017) Molecular architecture and dynamics of ASH1 mRNA recognition by its mRNA-transport complex. Nature structural & molecular biology, Issue 2, Vol. 24, 152-161 DOI: 10.1038/nsmb.3351, PubMed: 28092367 |
Hora M, Carballo Pacheco M, Weber B, Buchner J, Strodel B, Reif B (2017) Solid- and solution-state nuclear magnetic resonance spectroscopic studies on antibody light chain amyloid formation and interactions with epigallocatechin gallate. Amyloid : the international journal of experimental and clinical investigation : the official journal of the International Society of Amyloidosis, Issue sup1, Vol. 24, 10 DOI: 10.1080/13506129.2016.1269736, PubMed: 28019720 |
Mourão A, Bonnal S, Soni K, Warner L, Bordonné R, Valcárcel J, Sattler M (2016) Structural basis for the recognition of spliceosomal SmN/B/B' proteins by the RBM5 OCRE domain in splicing regulation. eLife, Vol. 5 DOI: 10.7554/eLife.14707, PubMed: 27894420 |
Nasr ML, Baptista D, Strauss M, Sun ZJ, Grigoriu S, Huser S, Plückthun A, Hagn F, Walz T, Hogle JM, Wagner G (2017) Covalently circularized nanodiscs for studying membrane proteins and viral entry. Nature methods, Issue 1, Vol. 14, 49-52 DOI: 10.1038/nmeth.4079, PubMed: 27869813 |
Voith von Voithenberg L, Sánchez-Rico C, Kang HS, Madl T, Zanier K, Barth A, Warner LR, Sattler M, Lamb DC (2016) Recognition of the 3' splice site RNA by the U2AF heterodimer involves a dynamic population shift. Proceedings of the National Academy of Sciences of the United States of America, Issue 46, Vol. 113, E7169-E7175 DOI: 10.1073/pnas.1605873113, PubMed: 27799531 |
Tetko IV, Maran U, Tropsha A (2017) Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development. Molecular informatics, Issue 3, Vol. 36 DOI: 10.1002/minf.201600082, PubMed: 27778468 |
Jagtap PK, Garg D, Kapp TG, Will CL, Demmer O, Lührmann R, Kessler H, Sattler M (2016) Rational Design of Cyclic Peptide Inhibitors of U2AF Homology Motif (UHM) Domains To Modulate Pre-mRNA Splicing. Journal of medicinal chemistry, Issue 22, Vol. 59, 10190-10197 DOI: 10.1021/acs.jmedchem.6b01118, PubMed: 27753493 |
Zierer BK, Rübbelke M, Tippel F, Madl T, Schopf FH, Rutz DA, Richter K, Sattler M, Buchner J (2016) Importance of cycle timing for the function of the molecular chaperone Hsp90. Nature structural & molecular biology, Issue 11, Vol. 23, 1020-1028 DOI: 10.1038/nsmb.3305, PubMed: 27723736 |
Janowski R, Scanu S, Niessing D, Madl T (2016) Crystal and solution structural studies of mouse phospholipid hydroperoxide glutathione peroxidase 4. Acta crystallographica. Section F, Structural biology communications, Issue Pt 10, Vol. 72, 743-749 DOI: 10.1107/S2053230X16013686, PubMed: 27710939 |
Subramaniam S, Erler A, Fu J, Kranz A, Tang J, Gopalswamy M, Ramakrishnan S, Keller A, Grundmeier G, Müller D, Sattler M, Stewart AF (2016) DNA annealing by Redβ is insufficient for homologous recombination and the additional requirements involve intra- and inter-molecular interactions. Scientific reports, Vol. 6, 34525 DOI: 10.1038/srep34525, PubMed: 27708411 |
Corvino A, Severino B, Fiorino F, Frecentese F, Magli E, Perissutti E, Santagada V, Bucci M, Cirino G, Kelly G, Servillo L, Popowicz G, Pastore A, Caliendo G (2016) Fragment-based de novo design of a cystathionine γ-lyase selective inhibitor blocking hydrogen sulfide production. Scientific reports, Vol. 6, 34398 DOI: 10.1038/srep34398, PubMed: 27708394 |
Delaforge E, Milles S, Huang JR, Bouvier D, Jensen MR, Sattler M, Hart DJ, Blackledge M (2016) Investigating the Role of Large-Scale Domain Dynamics in Protein-Protein Interactions. Frontiers in molecular biosciences, Vol. 3, 54 DOI: 10.3389/fmolb.2016.00054, PubMed: 27679800 |
Bolz C, Bach NC, Meyer H, Müller G, Dawidowski M, Popowicz G, Sieber SA, Skerra A, Gerhard M (2017) Comparison of enzymatic properties and small molecule inhibition of γ-glutamyltranspeptidases from pathogenic and commensal bacteria. Biological chemistry, Issue 3, Vol. 398, 341-357 DOI: 10.1515/hsz-2016-0198, PubMed: 27636829 |
Tetko IV, Engkvist O, Chen H (2016) Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed? Future medicinal chemistry, Issue 15, Vol. 8, 1801-1806 DOI: 10.4155/fmc-2016-0163, PubMed: 27627830 |
Dallmann A, Beribisky AV, Gnerlich F, Rübbelke M, Schiesser S, Carell T, Sattler M (2016) Site-Specific Isotope-Labeling of Inosine Phosphoramidites and NMR Analysis of an Inosine-Containing RNA Duplex. Chemistry (Weinheim an der Bergstrasse, Germany), Issue 43, Vol. 22, 15350-15359 DOI: 10.1002/chem.201602784, PubMed: 27608298 |
Vorberg S, Tetko IV (2014) Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM). Molecular informatics, Issue 1, Vol. 33, 73-85 DOI: 10.1002/minf.201300030, PubMed: 27485201 |
Bhhatarai B, Teetz W, Liu T, Öberg T, Jeliazkova N, Kochev N, Pukalov O, Tetko IV, Kovarich S, Papa E, Gramatica P (2011) CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals. Molecular informatics, Issue 2-3, Vol. 30, 189-204 DOI: 10.1002/minf.201000133, PubMed: 27466773 |
Tetko IV, Engkvist O, Koch U, Reymond JL, Chen H (2016) BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry. Molecular informatics, Issue 11-12, Vol. 35, 615-621 DOI: 10.1002/minf.201600073, PubMed: 27464907 |
Rupp M, Körner R, Tetko IV (2010) Estimation of Acid Dissociation Constants Using Graph Kernels. Molecular informatics, Issue 10, Vol. 29, 731-40 DOI: 10.1002/minf.201000072, PubMed: 27464016 |
Guo S, Popowicz GM, Li D, Yuan D, Wang Y (2016) Lid mobility in lipase SMG1 validated using a thiol/disulfide redox potential probe. FEBS open bio, Issue 5, Vol. 6, 477-83 DOI: 10.1002/2211-5463.12059, PubMed: 27419053 |
Guaitoli G, Raimondi F, Gilsbach BK, Gómez-Llorente Y, Deyaert E, Renzi F, Li X, Schaffner A, Jagtap PK, Boldt K, von Zweydorf F, Gotthardt K, Lorimer DD, Yue Z, Burgin A, Janjic N, Sattler M, Versées W, Ueffing M, Ubarretxena-Belandia I, Kortholt A, Gloeckner CJ (2016) Structural model of the dimeric Parkinson's protein LRRK2 reveals a compact architecture involving distant interdomain contacts. Proceedings of the National Academy of Sciences of the United States of America, Issue 30, Vol. 113, E4357-66 DOI: 10.1073/pnas.1523708113, PubMed: 27357661 |
Zheng X, Ramani A, Soni K, Gottardo M, Zheng S, Ming Gooi L, Li W, Feng S, Mariappan A, Wason A, Widlund P, Pozniakovsky A, Poser I, Deng H, Ou G, Riparbelli M, Giuliano C, Hyman AA, Sattler M, Gopalakrishnan J, Li H (2016) Molecular basis for CPAP-tubulin interaction in controlling centriolar and ciliary length. Nature communications, Vol. 7, 11874 DOI: 10.1038/ncomms11874, PubMed: 27306797 |
Goricanec D, Stehle R, Egloff P, Grigoriu S, Plückthun A, Wagner G, Hagn F (2016) Conformational dynamics of a G-protein α subunit is tightly regulated by nucleotide binding. Proceedings of the National Academy of Sciences of the United States of America, Issue 26, Vol. 113, E3629-38 DOI: 10.1073/pnas.1604125113, PubMed: 27298341 |
Baskin II, Winkler D, Tetko IV (2016) A renaissance of neural networks in drug discovery. Expert opinion on drug discovery, Issue 8, Vol. 11, 785-95 DOI: 10.1080/17460441.2016.1201262, PubMed: 27295548 |
Enthart A, Klein C, Dehner A, Coles M, Gemmecker G, Kessler H, Hagn F (2016) Solution structure and binding specificity of the p63 DNA binding domain. Scientific reports, Vol. 6, 26707 DOI: 10.1038/srep26707, PubMed: 27225672 |
Novotarskyi S, Abdelaziz A, Sushko Y, Körner R, Vogt J, Tetko IV (2016) ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model. Chemical research in toxicology, Issue 5, Vol. 29, 768-75 DOI: 10.1021/acs.chemrestox.5b00481, PubMed: 27120770 |
Brenke JK, Salmina ES, Ringelstetter L, Dornauer S, Kuzikov M, Rothenaigner I, Schorpp K, Giehler F, Gopalakrishnan J, Kieser A, Gul S, Tetko IV, Hadian K (2016) Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction. Journal of biomolecular screening, Issue 6, Vol. 21, 596-607 DOI: 10.1177/1087057116639992, PubMed: 27044684 |
Sarkar R, Mainz A, Busi B, Barbet-Massin E, Kranz M, Hofmann T, Reif B (2016) Immobilization of soluble protein complexes in MAS solid-state NMR: Sedimentation versus viscosity. Solid state nuclear magnetic resonance, Vol. 76-77, 7-14 DOI: 10.1016/j.ssnmr.2016.03.005, PubMed: 27017576 |
Janowski R, Heinz GA, Schlundt A, Wommelsdorf N, Brenner S, Gruber AR, Blank M, Buch T, Buhmann R, Zavolan M, Niessing D, Heissmeyer V, Sattler M (2016) Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40. Nature communications, Vol. 7, 11032 DOI: 10.1038/ncomms11032, PubMed: 27010430 |
Jung B, Messias AC, Schorpp K, Geerlof A, Schneider G, Saur D, Hadian K, Sattler M, Wanker EE, Hasenöder S, Lickert H (2016) Novel small molecules targeting ciliary transport of Smoothened and oncogenic Hedgehog pathway activation. Scientific reports, Vol. 6, 22540 DOI: 10.1038/srep22540, PubMed: 26931153 |
Mansouri K, Abdelaziz A, Rybacka A, Roncaglioni A, Tropsha A, Varnek A, Zakharov A, Worth A, Richard AM, Grulke CM, Trisciuzzi D, Fourches D, Horvath D, Benfenati E, Muratov E, Wedebye EB, Grisoni F, Mangiatordi GF, Incisivo GM, Hong H, Ng HW, Tetko IV, Balabin I, Kancherla J, Shen J, Burton J, Nicklaus M, Cassotti M, Nikolov NG, Nicolotti O, Andersson PL, Zang Q, Politi R, Beger RD, Todeschini R, Huang R, Farag S, Rosenberg SA, Slavov S, Hu X, Judson RS (2016) CERAPP: Collaborative Estrogen Receptor Activity Prediction Project. Environmental health perspectives, Issue 7, Vol. 124, 1023-33 DOI: 10.1289/ehp.1510267, PubMed: 26908244 |
Jung B, Padula D, Burtscher I, Landerer C, Lutter D, Theis F, Messias AC, Geerlof A, Sattler M, Kremmer E, Boldt K, Ueffing M, Lickert H (2016) Pitchfork and Gprasp2 Target Smoothened to the Primary Cilium for Hedgehog Pathway Activation. PloS one, Issue 2, Vol. 11, e0149477 DOI: 10.1371/journal.pone.0149477, PubMed: 26901434 |
Prade E, Barucker C, Sarkar R, Althoff-Ospelt G, Lopez del Amo JM, Hossain S, Zhong Y, Multhaup G, Reif B (2016) Sulindac Sulfide Induces the Formation of Large Oligomeric Aggregates of the Alzheimer's Disease Amyloid-β Peptide Which Exhibit Reduced Neurotoxicity. Biochemistry, Issue 12, Vol. 55, 1839-49 DOI: 10.1021/acs.biochem.5b01272, PubMed: 26900939 |
Schlundt A, Niessing D, Heissmeyer V, Sattler M (2016) RNA recognition by Roquin in posttranscriptional gene regulation. Wiley interdisciplinary reviews. RNA, Issue 4, Vol. 7, 455-69 DOI: 10.1002/wrna.1333, PubMed: 26844532 |
Nokwe CN, Hora M, Zacharias M, Yagi H, Peschek J, Reif B, Goto Y, Buchner J (2016) A Stable Mutant Predisposes Antibody Domains to Amyloid Formation through Specific Non-Native Interactions. Journal of molecular biology, Issue 6, Vol. 428, 1315-1332 DOI: 10.1016/j.jmb.2016.01.015, PubMed: 26827727 |
Alderson TR, Bax A (2016) Parkinson's disease: Disorder in the court. Nature, Issue 7588, Vol. 530, 38-9 DOI: 10.1038/nature16871, PubMed: 26808901 |
Tetko IV, M Lowe D, Williams AJ (2016) The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS. Journal of cheminformatics, Vol. 8, 2 DOI: 10.1186/s13321-016-0113-y, PubMed: 26807157 |
Carlon A, Ravera E, Hennig J, Parigi G, Sattler M, Luchinat C (2016) Improved Accuracy from Joint X-ray and NMR Refinement of a Protein-RNA Complex Structure. Journal of the American Chemical Society, Issue 5, Vol. 138, 1601-10 DOI: 10.1021/jacs.5b11598, PubMed: 26761154 |
Feracci M, Foot JN, Grellscheid SN, Danilenko M, Stehle R, Gonchar O, Kang HS, Dalgliesh C, Meyer NH, Liu Y, Lahat A, Sattler M, Eperon IC, Elliott DJ, Dominguez C (2016) Structural basis of RNA recognition and dimerization by the STAR proteins T-STAR and Sam68. Nature communications, Vol. 7, 10355 DOI: 10.1038/ncomms10355, PubMed: 26758068 |
Golestanian S, Sharifi A, Popowicz GM, Azizian H, Foroumadi A, Szwagierczak A, Holak TA, Amanlou M (2016) Discovery of novel dual inhibitors against Mdm2 and Mdmx proteins by in silico approaches and binding assay. Life sciences, Vol. 145, 240-6 DOI: 10.1016/j.lfs.2015.12.047, PubMed: 26746660 |
Weber J, Bao H, Hartlmüller C, Wang Z, Windhager A, Janowski R, Madl T, Jin P, Niessing D (2016) Structural basis of nucleic-acid recognition and double-strand unwinding by the essential neuronal protein Pur-alpha. eLife, Vol. 5 DOI: 10.7554/eLife.11297, PubMed: 26744780 |
Vincendeau M, Hadian K, Messias AC, Brenke JK, Halander J, Griesbach R, Greczmiel U, Bertossi A, Stehle R, Nagel D, Demski K, Velvarska H, Niessing D, Geerlof A, Sattler M, Krappmann D (2016) Inhibition of Canonical NF-κB Signaling by a Small Molecule Targeting NEMO-Ubiquitin Interaction. Scientific reports, Vol. 6, 18934 DOI: 10.1038/srep18934, PubMed: 26740240 |
Tetko IV, Varbanov HP, Galanski MS, Talmaciu M, Platts JA, Ravera M, Gabano E (2016) Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches. Journal of inorganic biochemistry, Vol. 156, 1-13 DOI: 10.1016/j.jinorgbio.2015.12.006, PubMed: 26717258 |
Salmina ES, Haider N, Tetko IV (2015) Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds. Molecules (Basel, Switzerland), Issue 1, Vol. 21, E1 DOI: 10.3390/molecules21010001, PubMed: 26703557 |
Morgen M, Jöst C, Malz M, Janowski R, Niessing D, Klein CD, Gunkel N, Miller AK (2016) Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity. ACS chemical biology, Issue 4, Vol. 11, 1001-11 DOI: 10.1021/acschembio.5b00755, PubMed: 26686773 |
Sarkar R, Rodriguez Camargo DC, Pintacuda G, Reif B (2015) Restoring Resolution in Biological Solid-State NMR under Conditions of Off-Magic-Angle Spinning. The journal of physical chemistry letters, Issue 24, Vol. 6, 5040-4 DOI: 10.1021/acs.jpclett.5b02467, PubMed: 26641130 |
Horn A, Hennig J, Ahmed YL, Stier G, Wild K, Sattler M, Sinning I (2015) Structural basis for cpSRP43 chromodomain selectivity and dynamics in Alb3 insertase interaction. Nature communications, Vol. 6, 8875 DOI: 10.1038/ncomms9875, PubMed: 26568381 |
Eckl JM, Scherr MJ, Freiburger L, Daake MA, Sattler M, Richter K (2015) Hsp90·Cdc37 Complexes with Protein Kinases Form Cooperatively with Multiple Distinct Interaction Sites. The Journal of biological chemistry, Issue 52, Vol. 290, 30843-54 DOI: 10.1074/jbc.M115.693150, PubMed: 26511315 |
Mainz A, Peschek J, Stavropoulou M, Back KC, Bardiaux B, Asami S, Prade E, Peters C, Weinkauf S, Buchner J, Reif B (2015) The chaperone αB-crystallin uses different interfaces to capture an amorphous and an amyloid client. Nature structural & molecular biology, Issue 11, Vol. 22, 898-905 DOI: 10.1038/nsmb.3108, PubMed: 26458046 |
Emmanouilidis L, Gopalswamy M, Passon DM, Wilmanns M, Sattler M (2016) Structural biology of the import pathways of peroxisomal matrix proteins. Biochimica et biophysica acta, Issue 5, Vol. 1863, 804-13 DOI: 10.1016/j.bbamcr.2015.09.034, PubMed: 26450166 |
Giannopoulou EA, Emmanouilidis L, Sattler M, Dodt G, Wilmanns M (2016) Towards the molecular mechanism of the integration of peroxisomal membrane proteins. Biochimica et biophysica acta, Issue 5, Vol. 1863, 863-9 DOI: 10.1016/j.bbamcr.2015.09.031, PubMed: 26434995 |
Prade E, Bittner HJ, Sarkar R, Lopez Del Amo JM, Althoff-Ospelt G, Multhaup G, Hildebrand PW, Reif B (2015) Structural Mechanism of the Interaction of Alzheimer Disease Aβ Fibrils with the Non-steroidal Anti-inflammatory Drug (NSAID) Sulindac Sulfide. The Journal of biological chemistry, Issue 48, Vol. 290, 28737-45 DOI: 10.1074/jbc.M115.675215, PubMed: 26416887 |
Nokwe CN, Hora M, Zacharias M, Yagi H, John C, Reif B, Goto Y, Buchner J (2015) The Antibody Light-Chain Linker Is Important for Domain Stability and Amyloid Formation. Journal of molecular biology, Issue 22, Vol. 427, 3572-3586 DOI: 10.1016/j.jmb.2015.09.012, PubMed: 26408269 |
Andreetto E, Malideli E, Yan LM, Kracklauer M, Farbiarz K, Tatarek-Nossol M, Rammes G, Prade E, Neumüller T, Caporale A, Spanopoulou A, Bakou M, Reif B, Kapurniotu A (2015) A Hot-Segment-Based Approach for the Design of Cross-Amyloid Interaction Surface Mimics as Inhibitors of Amyloid Self-Assembly. Angewandte Chemie (International ed. in English), Issue 44, Vol. 54, 13095-100 DOI: 10.1002/anie.201504973, PubMed: 26336938 |
Freiburger L, Sonntag M, Hennig J, Li J, Zou P, Sattler M (2015) Efficient segmental isotope labeling of multi-domain proteins using Sortase A. Journal of biomolecular NMR, Issue 1, Vol. 63, 1-8 DOI: 10.1007/s10858-015-9981-0, PubMed: 26319988 |
Wei D, Akbey Ü, Paaske B, Oschkinat H, Reif B, Bjerring M, Nielsen NC (2011) Optimal (2)H rf Pulses and (2)H-(13)C Cross-Polarization Methods for Solid-State (2)H MAS NMR of Perdeuterated Proteins. The journal of physical chemistry letters, Issue 11, Vol. 2, 1289-94 DOI: 10.1021/jz200511b, PubMed: 26295423 |
Xu T, Brandmaier S, Messias AC, Herder C, Draisma HH, Demirkan A, Yu Z, Ried JS, Haller T, Heier M, Campillos M, Fobo G, Stark R, Holzapfel C, Adam J, Chi S, Rotter M, Panni T, Quante AS, He Y, Prehn C, Roemisch-Margl W, Kastenmüller G, Willemsen G, Pool R, Kasa K, van Dijk KW, Hankemeier T, Meisinger C, Thorand B, Ruepp A, Hrabé de Angelis M, Li Y, Wichmann HE, Stratmann B, Strauch K, Metspalu A, Gieger C, Suhre K, Adamski J, Illig T, Rathmann W, Roden M, Peters A, van Duijn CM, Boomsma DI, Meitinger T, Wang-Sattler R (2015) Effects of metformin on metabolite profiles and LDL cholesterol in patients with type 2 diabetes. Diabetes care, Issue 10, Vol. 38, 1858-67 DOI: 10.2337/dc15-0658, PubMed: 26251408 |
Lan D, Wang Q, Popowicz GM, Yang B, Tang Q, Wang Y (2015) The Role of Residues 103, 104, and 278 in the Activity of SMG1 Lipase from Malassezia globosa: A Site-Directed Mutagenesis Study. Journal of microbiology and biotechnology, Issue 11, Vol. 25, 1827-34 DOI: 10.4014/jmb.1506.06079, PubMed: 26239010 |
Rybacka A, Rudén C, Tetko IV, Andersson PL (2015) Identifying potential endocrine disruptors among industrial chemicals and their metabolites--development and evaluation of in silico tools. Chemosphere, Vol. 139, 372-8 DOI: 10.1016/j.chemosphere.2015.07.036, PubMed: 26210185 |
Haslbeck V, Drazic A, Eckl JM, Alte F, Helmuth M, Popowicz G, Schmidt W, Braun F, Weiwad M, Fischer G, Gemmecker G, Sattler M, Striggow F, Groll M, Richter K (2015) Selective activators of protein phosphatase 5 target the auto-inhibitory mechanism. Bioscience reports, Issue 3, Vol. 35 DOI: 10.1042/BSR20150042, PubMed: 26182372 |
Meyer NH, Mayerhofer H, Tripsianes K, Blindow S, Barths D, Mewes A, Weimar T, Köhli T, Bade S, Madl T, Frey A, Haas H, Mueller-Dieckmann J, Sattler M, Schramm G (2015) A Crystallin Fold in the Interleukin-4-inducing Principle of Schistosoma mansoni Eggs (IPSE/α-1) Mediates IgE Binding for Antigen-independent Basophil Activation. The Journal of biological chemistry, Issue 36, Vol. 290, 22111-26 DOI: 10.1074/jbc.M115.675066, PubMed: 26163514 |
Hennig J, Warner LR, Simon B, Geerlof A, Mackereth CD, Sattler M (2015) Structural Analysis of Protein-RNA Complexes in Solution Using NMR Paramagnetic Relaxation Enhancements. Methods in enzymology, Vol. 558, 333-362 DOI: 10.1016/bs.mie.2015.02.006, PubMed: 26068746 |
Rancan C, Schirrmann L, Hüls C, Zeidler R, Moosmann A (2015) Latent Membrane Protein LMP2A Impairs Recognition of EBV-Infected Cells by CD8+ T Cells. PLoS pathogens, Issue 6, Vol. 11, e1004906 DOI: 10.1371/journal.ppat.1004906, PubMed: 26067064 |
Hennig J, Sattler M (2015) Deciphering the protein-RNA recognition code: combining large-scale quantitative methods with structural biology. BioEssays : news and reviews in molecular, cellular and developmental biology, Issue 8, Vol. 37, 899-908 DOI: 10.1002/bies.201500033, PubMed: 26059946 |
Friberg A, Thumann S, Hennig J, Zou P, Nössner E, Ling PD, Sattler M, Kempkes B (2015) The EBNA-2 N-Terminal Transactivation Domain Folds into a Dimeric Structure Required for Target Gene Activation. PLoS pathogens, Issue 5, Vol. 11, e1004910 DOI: 10.1371/journal.ppat.1004910, PubMed: 26024477 |
Buchner S, Schlundt A, Lassak J, Sattler M, Jung K (2015) Structural and Functional Analysis of the Signal-Transducing Linker in the pH-Responsive One-Component System CadC of Escherichia coli. Journal of molecular biology, Issue 15, Vol. 427, 2548-2561 DOI: 10.1016/j.jmb.2015.05.001, PubMed: 25979249 |
Milbradt AG, Arthanari H, Takeuchi K, Boeszoermenyi A, Hagn F, Wagner G (2015) Increased resolution of aromatic cross peaks using alternate 13C labeling and TROSY. Journal of biomolecular NMR, Issue 3, Vol. 62, 291-301 DOI: 10.1007/s10858-015-9944-5, PubMed: 25957757 |
Lan D, Popowicz GM, Pavlidis IV, Zhou P, Bornscheuer UT, Wang Y (2015) Conversion of a Mono- and Diacylglycerol Lipase into a Triacylglycerol Lipase by Protein Engineering. Chembiochem : a European journal of chemical biology, Issue 10, Vol. 16, 1431-4 DOI: 10.1002/cbic.201500163, PubMed: 25955297 |
Anosova I, Melnik S, Tripsianes K, Kateb F, Grummt I, Sattler M (2015) A novel RNA binding surface of the TAM domain of TIP5/BAZ2A mediates epigenetic regulation of rRNA genes. Nucleic acids research, Issue 10, Vol. 43, 5208-20 DOI: 10.1093/nar/gkv365, PubMed: 25916849 |
Gilsbach BK, Messias AC, Ito G, Sattler M, Alessi DR, Wittinghofer A, Kortholt A (2015) Structural Characterization of LRRK2 Inhibitors. Journal of medicinal chemistry, Issue 9, Vol. 58, 3751-6 DOI: 10.1021/jm5018779, PubMed: 25897865 |
Edelmann FT, Niedner A, Niessing D (2015) ASH1 mRNP-core factors form stable complexes in absence of cargo RNA at physiological conditions. RNA biology, Issue 3, Vol. 12, 233-7 DOI: 10.1080/15476286.2015.1017217, PubMed: 25826656 |
Wang X, Tang Q, Popowicz GM, Yang B, Wang Y (2015) A mechanistic study into the epoxidation of carboxylic acid and alkene in a mono, di-acylglycerol lipase. Biochemical and biophysical research communications, Issue 2, Vol. 460, 392-6 DOI: 10.1016/j.bbrc.2015.03.044, PubMed: 25783054 |
Sattler M (2015) Dynamic RNA world. RNA (New York, N.Y.), Issue 4, Vol. 21, 727-8 DOI: 10.1261/rna.050971.115, PubMed: 25780211 |
Uda NR, Seibert V, Stenner-Liewen F, Müller P, Herzig P, Gondi G, Zeidler R, van Dijk M, Zippelius A, Renner C (2015) Esterase activity of carbonic anhydrases serves as surrogate for selecting antibodies blocking hydratase activity. Journal of enzyme inhibition and medicinal chemistry, Issue 6, Vol. 30, 955-60 DOI: 10.3109/14756366.2014.1001754, PubMed: 25775095 |
Abdelaziz A, Sushko Y, Novotarskyi S, Körner R, Brandmaier S, Tetko IV (2015) Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing. Combinatorial chemistry & high throughput screening, Issue 4, Vol. 18, 420-38 DOI: 10.2174/1386207318666150305155255, PubMed: 25747436 |
Riebold M, Kozany C, Freiburger L, Sattler M, Buchfelder M, Hausch F, Stalla GK, Paez-Pereda M (2015) A C-terminal HSP90 inhibitor restores glucocorticoid sensitivity and relieves a mouse allograft model of Cushing disease. Nature medicine, Issue 3, Vol. 21, 276-80 DOI: 10.1038/nm.3776, PubMed: 25665180 |
Barbet-Massin E, Huang CT, Daebel V, Hsu ST, Reif B (2015) Site-specific solid-state NMR studies of "trigger factor" in complex with the large ribosomal subunit 50S. Angewandte Chemie (International ed. in English), Issue 14, Vol. 54, 4367-9 DOI: 10.1002/anie.201409393, PubMed: 25655173 |
Chevelkov V, Xiang S, Giller K, Becker S, Lange A, Reif B (2015) Perspectives for sensitivity enhancement in proton-detected solid-state NMR of highly deuterated proteins by preserving water magnetization. Journal of biomolecular NMR, Issue 2, Vol. 61, 151-60 DOI: 10.1007/s10858-015-9902-2, PubMed: 25634300 |
Asami S, Porter JR, Lange OF, Reif B (2015) Access to Cα backbone dynamics of biological solids by 13C T1 relaxation and molecular dynamics simulation. Journal of the American Chemical Society, Issue 3, Vol. 137, 1094-100 DOI: 10.1021/ja509367q, PubMed: 25564702 |
Sushko Y, Novotarskyi S, Körner R, Vogt J, Abdelaziz A, Tetko IV (2014) Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process. Journal of cheminformatics, Issue 1, Vol. 6, 48 DOI: 10.1186/s13321-014-0048-0, PubMed: 25544551 |
Dallmann A, Sattler M (2014) Detection of hydrogen bonds in dynamic regions of RNA by NMR spectroscopy. Current protocols in nucleic acid chemistry, Vol. 59, 7.22.1-19 DOI: 10.1002/0471142700.nc0722s59, PubMed: 25501594 |
Tetko IV, Sushko Y, Novotarskyi S, Patiny L, Kondratov I, Petrenko AE, Charochkina L, Asiri AM (2014) How accurately can we predict the melting points of drug-like compounds? Journal of chemical information and modeling, Issue 12, Vol. 54, 3320-9 DOI: 10.1021/ci5005288, PubMed: 25489863 |
Hennig J, Gebauer F, Sattler M (2014) Breaking the protein-RNA recognition code. Cell cycle (Georgetown, Tex.), Issue 23, Vol. 13, 3619-20 DOI: 10.4161/15384101.2014.986625, PubMed: 25486095 |
Niedner A, Edelmann FT, Niessing D (2014) Of social molecules: The interactive assembly of ASH1 mRNA-transport complexes in yeast. RNA biology, Issue 8, Vol. 11, 998-1009 DOI: 10.4161/rna.29946, PubMed: 25482892 |
Kim JH, Bothe JR, Alderson TR, Markley JL (2015) Tangled web of interactions among proteins involved in iron-sulfur cluster assembly as unraveled by NMR, SAXS, chemical crosslinking, and functional studies. Biochimica et biophysica acta, Issue 6, Vol. 1853, 1416-28 DOI: 10.1016/j.bbamcr.2014.11.020, PubMed: 25450980 |
Rodriguez Camargo DC, Tripsianes K, Kapp TG, Mendes J, Schubert J, Cordes B, Reif B (2015) Cloning, expression and purification of the human Islet Amyloid Polypeptide (hIAPP) from Escherichia coli. Protein expression and purification, Vol. 106, 49-56 DOI: 10.1016/j.pep.2014.10.012, PubMed: 25448593 |
Hagn F, Wagner G (2015) Structure refinement and membrane positioning of selectively labeled OmpX in phospholipid nanodiscs. Journal of biomolecular NMR, Issue 3-4, Vol. 61, 249-60 DOI: 10.1007/s10858-014-9883-6, PubMed: 25430058 |
Holzmeister C, Gaupels F, Geerlof A, Sarioglu H, Sattler M, Durner J, Lindermayr C (2015) Differential inhibition of Arabidopsis superoxide dismutases by peroxynitrite-mediated tyrosine nitration. Journal of experimental botany, Issue 3, Vol. 66, 989-99 DOI: 10.1093/jxb/eru458, PubMed: 25428993 |
Kim DK, Lee J, Kim SR, Choi DS, Yoon YJ, Kim JH, Go G, Nhung D, Hong K, Jang SC, Kim SH, Park KS, Kim OY, Park HT, Seo JH, Aikawa E, Baj-Krzyworzeka M, van Balkom BW, Belting M, Blanc L, Bond V, Bongiovanni A, Borràs FE, Buée L, Buzás EI, Cheng L, Clayton A, Cocucci E, Dela Cruz CS, Desiderio DM, Di Vizio D, Ekström K, Falcon-Perez JM, Gardiner C, Giebel B, Greening DW, Gross JC, Gupta D, Hendrix A, Hill AF, Hill MM, Nolte-'t Hoen E, Hwang DW, Inal J, Jagannadham MV, Jayachandran M, Jee YK, Jørgensen M, Kim KP, Kim YK, Kislinger T, Lässer C, Lee DS, Lee H, van Leeuwen J, Lener T, Liu ML, Lötvall J, Marcilla A, Mathivanan S, Möller A, Morhayim J, Mullier F, Nazarenko I, Nieuwland R, Nunes DN, Pang K, Park J, Patel T, Pocsfalvi G, Del Portillo H, Putz U, Ramirez MI, Rodrigues ML, Roh TY, Royo F, Sahoo S, Schiffelers R, Sharma S, Siljander P, Simpson RJ, Soekmadji C, Stahl P, Stensballe A, Stępień E, Tahara H, Trummer A, Valadi H, Vella LJ, Wai SN, Witwer K, Yáñez-Mó M, Youn H, Zeidler R, Gho YS (2015) EVpedia: a community web portal for extracellular vesicles research. Bioinformatics (Oxford, England), Issue 6, Vol. 31, 933-9 DOI: 10.1093/bioinformatics/btu741, PubMed: 25388151 |
Alderson TR, Kim JH, Cai K, Frederick RO, Tonelli M, Markley JL (2014) The specialized Hsp70 (HscA) interdomain linker binds to its nucleotide-binding domain and stimulates ATP hydrolysis in both cis and trans configurations. Biochemistry, Issue 46, Vol. 53, 7148-59 DOI: 10.1021/bi5010552, PubMed: 25372495 |
Krushelnitsky A, Zinkevich T, Reif B, Saalwächter K (2014) Slow motions in microcrystalline proteins as observed by MAS-dependent 15N rotating-frame NMR relaxation. Journal of magnetic resonance (San Diego, Calif. : 1997), Vol. 248, 8-12 DOI: 10.1016/j.jmr.2014.09.007, PubMed: 25282442 |
Zierer BK, Weiwad M, Rübbelke M, Freiburger L, Fischer G, Lorenz OR, Sattler M, Richter K, Buchner J (2014) Artificial accelerators of the molecular chaperone Hsp90 facilitate rate-limiting conformational transitions. Angewandte Chemie (International ed. in English), Issue 45, Vol. 53, 12257-62 DOI: 10.1002/anie.201406578, PubMed: 25244159 |
Hennig J, Militti C, Popowicz GM, Wang I, Sonntag M, Geerlof A, Gabel F, Gebauer F, Sattler M (2014) Structural basis for the assembly of the Sxl-Unr translation regulatory complex. Nature, Issue 7526, Vol. 515, 287-90 DOI: 10.1038/nature13693, PubMed: 25209665 |
Tripsianes K, Friberg A, Barrandon C, Brooks M, van Tilbeurgh H, Seraphin B, Sattler M (2014) A novel protein-protein interaction in the RES (REtention and Splicing) complex. The Journal of biological chemistry, Issue 41, Vol. 289, 28640-50 DOI: 10.1074/jbc.M114.592311, PubMed: 25160624 |
Jansen RP, Niessing D, Baumann S, Feldbrügge M (2014) mRNA transport meets membrane traffic. Trends in genetics : TIG, Issue 9, Vol. 30, 408-17 DOI: 10.1016/j.tig.2014.07.002, PubMed: 25110341 |
Nokwe CN, Zacharias M, Yagi H, Hora M, Reif B, Goto Y, Buchner J (2014) A residue-specific shift in stability and amyloidogenicity of antibody variable domains. The Journal of biological chemistry, Issue 39, Vol. 289, 26829-26846 DOI: 10.1074/jbc.M114.582247, PubMed: 25096580 |
Kim JH, Alderson TR, Frederick RO, Markley JL (2014) Nucleotide-dependent interactions within a specialized Hsp70/Hsp40 complex involved in Fe-S cluster biogenesis. Journal of the American Chemical Society, Issue 33, Vol. 136, 11586-9 DOI: 10.1021/ja5055252, PubMed: 25080945 |
Schlundt A, Heinz GA, Janowski R, Geerlof A, Stehle R, Heissmeyer V, Niessing D, Sattler M (2014) Structural basis for RNA recognition in roquin-mediated post-transcriptional gene regulation. Nature structural & molecular biology, Issue 8, Vol. 21, 671-8 DOI: 10.1038/nsmb.2855, PubMed: 25026077 |
del Amo JM, Agarwal V, Sarkar R, Porter J, Asami S, Rübbelke M, Fink U, Xue Y, Lange OF, Reif B (2014) Site-specific analysis of heteronuclear Overhauser effects in microcrystalline proteins. Journal of biomolecular NMR, Issue 4, Vol. 59, 241-9 DOI: 10.1007/s10858-014-9843-1, PubMed: 24989039 |
Linser R, Gelev V, Hagn F, Arthanari H, Hyberts SG, Wagner G (2014) Selective methyl labeling of eukaryotic membrane proteins using cell-free expression. Journal of the American Chemical Society, Issue 32, Vol. 136, 11308-10 DOI: 10.1021/ja504791j, PubMed: 24937763 |
Göbl C, Madl T, Simon B, Sattler M (2014) NMR approaches for structural analysis of multidomain proteins and complexes in solution. Progress in nuclear magnetic resonance spectroscopy, Vol. 80, 26-63 DOI: 10.1016/j.pnmrs.2014.05.003, PubMed: 24924266 |
Ammon T, Mishra SK, Kowalska K, Popowicz GM, Holak TA, Jentsch S (2014) The conserved ubiquitin-like protein Hub1 plays a critical role in splicing in human cells. Journal of molecular cell biology, Issue 4, Vol. 6, 312-23 DOI: 10.1093/jmcb/mju026, PubMed: 24872507 |
Feige MJ, Gräwert MA, Marcinowski M, Hennig J, Behnke J, Ausländer D, Herold EM, Peschek J, Castro CD, Flajnik M, Hendershot LM, Sattler M, Groll M, Buchner J (2014) The structural analysis of shark IgNAR antibodies reveals evolutionary principles of immunoglobulins. Proceedings of the National Academy of Sciences of the United States of America, Issue 22, Vol. 111, 8155-60 DOI: 10.1073/pnas.1321502111, PubMed: 24830426 |
Cassotti M, Ballabio D, Consonni V, Mauri A, Tetko IV, Todeschini R (2014) Prediction of acute aquatic toxicity toward Daphnia magna by using the GA-kNN method. Alternatives to laboratory animals : ATLA, Issue 1, Vol. 42, 31-41 DOI: 10.1177/026119291404200106, PubMed: 24773486 |
Brandmaier S, Peijnenburg W, Durjava MK, Kolar B, Gramatica P, Papa E, Bhhatarai B, Kovarich S, Cassani S, Roy PP, Rahmberg M, Öberg T, Jeliazkova N, Golsteijn L, Comber M, Charochkina L, Novotarskyi S, Sushko I, Abdelaziz A, D'Onofrio E, Kunwar P, Ruggiu F, Tetko IV (2014) The QSPR-THESAURUS: the online platform of the CADASTER project. Alternatives to laboratory animals : ATLA, Issue 1, Vol. 42, 13-24 DOI: 10.1177/026119291404200104, PubMed: 24773484 |
Tetko IV, Schramm KW, Knepper T, Peijnenburg WJ, Hendriks AJ, Navas JM, Nicholls IA, Oberg T, Todeschini R, Schlosser E, Brandmaier S (2014) Experimental and theoretical studies in the EU FP7 Marie Curie Initial Training Network Project, Environmental ChemOinformatics (ECO). Alternatives to laboratory animals : ATLA, Issue 1, Vol. 42, 7-11 DOI: 10.1177/026119291404200103, PubMed: 24773483 |
Huang JR, Warner LR, Sanchez C, Gabel F, Madl T, Mackereth CD, Sattler M, Blackledge M (2014) Transient electrostatic interactions dominate the conformational equilibrium sampled by multidomain splicing factor U2AF65: a combined NMR and SAXS study. Journal of the American Chemical Society, Issue 19, Vol. 136, 7068-76 DOI: 10.1021/ja502030n, PubMed: 24734879 |
Kireeva NV, Ovchinnikova SI, Tetko IV, Asiri AM, Balakin KV, Tsivadze AY (2014) Nonlinear dimensionality reduction for visualizing toxicity data: distance-based versus topology-based approaches. ChemMedChem, Issue 5, Vol. 9, 1047-59 DOI: 10.1002/cmdc.201400027, PubMed: 24729490 |
Pustelny K, Zdzalik M, Stach N, Stec-Niemczyk J, Cichon P, Czarna A, Popowicz G, Mak P, Drag M, Salvesen GS, Wladyka B, Potempa J, Dubin A, Dubin G (2014) Staphylococcal SplB serine protease utilizes a novel molecular mechanism of activation. The Journal of biological chemistry, Issue 22, Vol. 289, 15544-53 DOI: 10.1074/jbc.M113.507616, PubMed: 24713703 |
Brandmaier S, Tetko IV (2013) Robustness in experimental design: A study on the reliability of selection approaches. Computational and structural biotechnology journal, Vol. 7, e201305002 DOI: 10.5936/csbj.201305002, PubMed: 24688738 |
Piccoli G, Onofri F, Cirnaru MD, Kaiser CJ, Jagtap P, Kastenmüller A, Pischedda F, Marte A, von Zweydorf F, Vogt A, Giesert F, Pan L, Antonucci F, Kiel C, Zhang M, Weinkauf S, Sattler M, Sala C, Matteoli M, Ueffing M, Gloeckner CJ (2014) Leucine-rich repeat kinase 2 binds to neuronal vesicles through protein interactions mediated by its C-terminal WD40 domain. Molecular and cellular biology, Issue 12, Vol. 34, 2147-61 DOI: 10.1128/MCB.00914-13, PubMed: 24687852 |
Hennig J, Sattler M (2014) The dynamic duo: combining NMR and small angle scattering in structural biology. Protein science : a publication of the Protein Society, Issue 6, Vol. 23, 669-82 DOI: 10.1002/pro.2467, PubMed: 24687405 |
Wang I, Hennig J, Jagtap PK, Sonntag M, Valcárcel J, Sattler M (2014) Structure, dynamics and RNA binding of the multi-domain splicing factor TIA-1. Nucleic acids research, Issue 9, Vol. 42, 5949-66 DOI: 10.1093/nar/gku193, PubMed: 24682828 |
Alderson TR, Markley JL (2013) Biophysical characterization of α-synuclein and its controversial structure. Intrinsically disordered proteins, Issue 1, Vol. 1, 18-39 DOI: 10.4161/idp.26255, PubMed: 24634806 |
Weller P, Bankfalvi A, Gu X, Dominas N, Lehnerdt GF, Zeidler R, Lang S, Brandau S, Dumitru CA (2014) The role of tumour FoxP3 as prognostic marker in different subtypes of head and neck cancer. European journal of cancer (Oxford, England : 1990), Issue 7, Vol. 50, 1291-300 DOI: 10.1016/j.ejca.2014.02.016, PubMed: 24630394 |
Schilling F, Warner LR, Gershenzon NI, Skinner TE, Sattler M, Glaser SJ (2014) Next-generation heteronuclear decoupling for high-field biomolecular NMR spectroscopy. Angewandte Chemie (International ed. in English), Issue 17, Vol. 53, 4475-9 DOI: 10.1002/anie.201400178, PubMed: 24623579 |
Lorenz OR, Freiburger L, Rutz DA, Krause M, Zierer BK, Alvira S, Cuéllar J, Valpuesta JM, Madl T, Sattler M, Buchner J (2014) Modulation of the Hsp90 chaperone cycle by a stringent client protein. Molecular cell, Issue 6, Vol. 53, 941-53 DOI: 10.1016/j.molcel.2014.02.003, PubMed: 24613341 |
Linser R, Sarkar R, Krushelnitzky A, Mainz A, Reif B (2014) Dynamics in the solid-state: perspectives for the investigation of amyloid aggregates, membrane proteins and soluble protein complexes. Journal of biomolecular NMR, Issue 1, Vol. 59, 1-14 DOI: 10.1007/s10858-014-9822-6, PubMed: 24595988 |
Khoury K, Popowicz GM, Holak TA, Dömling A (2011) The p53-MDM2/MDMX axis - A chemotype perspective. MedChemComm, Vol. 2, 246-260 DOI: 10.1039/C0MD00248H, PubMed: 24466404 |
Huang Y, Wolf S, Beck B, Köhler LM, Khoury K, Popowicz GM, Goda SK, Subklewe M, Twarda A, Holak TA, Dömling A (2014) Discovery of highly potent p53-MDM2 antagonists and structural basis for anti-acute myeloid leukemia activities. ACS chemical biology, Issue 3, Vol. 9, 802-11 DOI: 10.1021/cb400728e, PubMed: 24405416 |
Burchacka E, Zdzalik M, Niemczyk JS, Pustelny K, Popowicz G, Wladyka B, Dubin A, Potempa J, Sienczyk M, Dubin G, Oleksyszyn J (2014) Development and binding characteristics of phosphonate inhibitors of SplA protease from Staphylococcus aureus. Protein science : a publication of the Protein Society, Issue 2, Vol. 23, 179-89 DOI: 10.1002/pro.2403, PubMed: 24375505 |
Schorpp K, Rothenaigner I, Salmina E, Reinshagen J, Low T, Brenke JK, Gopalakrishnan J, Tetko IV, Gul S, Hadian K (2014) Identification of Small-Molecule Frequent Hitters from AlphaScreen High-Throughput Screens. Journal of biomolecular screening, Issue 5, Vol. 19, 715-26 DOI: 10.1177/1087057113516861, PubMed: 24371213 |
Heym RG, Zimmermann D, Edelmann FT, Israel L, Ökten Z, Kovar DR, Niessing D (2013) In vitro reconstitution of an mRNA-transport complex reveals mechanisms of assembly and motor activation. The Journal of cell biology, Issue 6, Vol. 203, 971-84 DOI: 10.1083/jcb.201302095, PubMed: 24368805 |
Velvarska H, Niessing D (2013) Structural insights into the globular tails of the human type v myosins Myo5a, Myo5b, And Myo5c. PloS one, Issue 12, Vol. 8, e82065 DOI: 10.1371/journal.pone.0082065, PubMed: 24339992 |
Niedner A, Müller M, Moorthy BT, Jansen RP, Niessing D (2013) Role of Loc1p in assembly and reorganization of nuclear ASH1 messenger ribonucleoprotein particles in yeast. Proceedings of the National Academy of Sciences of the United States of America, Issue 52, Vol. 110, E5049-58 DOI: 10.1073/pnas.1315289111, PubMed: 24324176 |
Tripsianes K, Chu NK, Friberg A, Sattler M, Becker CF (2014) Studying weak and dynamic interactions of posttranslationally modified proteins using expressed protein ligation. ACS chemical biology, Issue 2, Vol. 9, 347-52 DOI: 10.1021/cb400723j, PubMed: 24299430 |
Jacso T, Bardiaux B, Broecker J, Fiedler S, Baerwinkel T, Mainz A, Fink U, Vargas C, Oschkinat H, Keller S, Reif B (2013) The mechanism of denaturation and the unfolded state of the α-helical membrane-associated protein Mistic. Journal of the American Chemical Society, Issue 50, Vol. 135, 18884-91 DOI: 10.1021/ja408644f, PubMed: 24261476 |
Neuhaus A, Kooshapur H, Wolf J, Meyer NH, Madl T, Saidowsky J, Hambruch E, Lazam A, Jung M, Sattler M, Schliebs W, Erdmann R (2014) A novel Pex14 protein-interacting site of human Pex5 is critical for matrix protein import into peroxisomes. The Journal of biological chemistry, Issue 1, Vol. 289, 437-48 DOI: 10.1074/jbc.M113.499707, PubMed: 24235149 |
Bista M, Wolf S, Khoury K, Kowalska K, Huang Y, Wrona E, Arciniega M, Popowicz GM, Holak TA, Dömling A (2013) Transient protein states in designing inhibitors of the MDM2-p53 interaction. Structure (London, England : 1993), Issue 12, Vol. 21, 2143-51 DOI: 10.1016/j.str.2013.09.006, PubMed: 24207125 |
Velvarska H, Niessing D (2013) Purification, crystallization and preliminary crystallographic analysis of the globular domain of the human type V myosin Myo5a. Acta crystallographica. Section F, Structural biology and crystallization communications, Issue Pt 11, Vol. 69, 1220-3 DOI: 10.1107/S1744309113025578, PubMed: 24192353 |
Kang C, Ye H, Chia J, Choi BH, Dhe-Paganon S, Simon B, Schütz U, Sattler M, Yoon HS (2013) Functional role of the flexible N-terminal extension of FKBP38 in catalysis. Scientific reports, Vol. 3, 2985 DOI: 10.1038/srep02985, PubMed: 24145868 |
Zinkevich T, Chevelkov V, Reif B, Saalwächter K, Krushelnitsky A (2013) Internal protein dynamics on ps to μs timescales as studied by multi-frequency (15)N solid-state NMR relaxation. Journal of biomolecular NMR, Issue 3, Vol. 57, 219-35 DOI: 10.1007/s10858-013-9782-2, PubMed: 24048638 |
Pfaff J, Hennig J, Herzog F, Aebersold R, Sattler M, Niessing D, Meister G (2013) Structural features of Argonaute-GW182 protein interactions. Proceedings of the National Academy of Sciences of the United States of America, Issue 40, Vol. 110, E3770-9 DOI: 10.1073/pnas.1308510110, PubMed: 24043833 |
Gondi G, Mysliwietz J, Hulikova A, Jen JP, Swietach P, Kremmer E, Zeidler R (2013) Antitumor efficacy of a monoclonal antibody that inhibits the activity of cancer-associated carbonic anhydrase XII. Cancer research, Issue 21, Vol. 73, 6494-503 DOI: 10.1158/0008-5472.CAN-13-1110, PubMed: 24030978 |
Edelmann FT, Niedner A, Niessing D (2014) Production of pure and functional RNA for in vitro reconstitution experiments. Methods (San Diego, Calif.), Issue 3, Vol. 65, 333-41 DOI: 10.1016/j.ymeth.2013.08.034, PubMed: 24021718 |
Zeitler B, Herrera Diaz A, Dangel A, Thellmann M, Meyer H, Sattler M, Lindermayr C (2013) De-novo design of antimicrobial peptides for plant protection. PloS one, Issue 8, Vol. 8, e71687 DOI: 10.1371/journal.pone.0071687, PubMed: 23951222 |
Dallmann A, Simon B, Duszczyk MM, Kooshapur H, Pardi A, Bermel W, Sattler M (2013) Efficient detection of hydrogen bonds in dynamic regions of RNA by sensitivity-optimized NMR pulse sequences. Angewandte Chemie (International ed. in English), Issue 40, Vol. 52, 10487-90 DOI: 10.1002/anie.201304391, PubMed: 23946052 |
Mainz A, Religa TL, Sprangers R, Linser R, Kay LE, Reif B (2013) NMR spectroscopy of soluble protein complexes at one mega-dalton and beyond. Angewandte Chemie (International ed. in English), Issue 33, Vol. 52, 8746-51 DOI: 10.1002/anie.201301215, PubMed: 23873792 |
Kadam RU, Garg D, Schwartz J, Visini R, Sattler M, Stocker A, Darbre T, Reymond JL (2013) CH-π "T-shape" interaction with histidine explains binding of aromatic galactosides to Pseudomonas aeruginosa lectin LecA. ACS chemical biology, Issue 9, Vol. 8, 1925-30 DOI: 10.1021/cb400303w, PubMed: 23869965 |
Tetko IV, Novotarskyi S, Sushko I, Ivanov V, Petrenko AE, Dieden R, Lebon F, Mathieu B (2013) Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions. Journal of chemical information and modeling, Issue 8, Vol. 53, 1990-2000 DOI: 10.1021/ci400213d, PubMed: 23855787 |
Lopez del Amo JM, Schneider D, Loquet A, Lange A, Reif B (2013) Cryogenic solid state NMR studies of fibrils of the Alzheimer's disease amyloid-β peptide: perspectives for DNP. Journal of biomolecular NMR, Issue 4, Vol. 56, 359-63 DOI: 10.1007/s10858-013-9755-5, PubMed: 23793606 |
Asami S, Reif B (2013) Proton-detected solid-state NMR spectroscopy at aliphatic sites: application to crystalline systems. Accounts of chemical research, Issue 9, Vol. 46, 2089-97 DOI: 10.1021/ar400063y, PubMed: 23745638 |
Müller R, Gräwert MA, Kern T, Madl T, Peschek J, Sattler M, Groll M, Buchner J (2013) High-resolution structures of the IgM Fc domains reveal principles of its hexamer formation. Proceedings of the National Academy of Sciences of the United States of America, Issue 25, Vol. 110, 10183-8 DOI: 10.1073/pnas.1300547110, PubMed: 23733956 |
Peijnenburg WJ, Tetko IV (2013) Exemplification of the implementation of alternatives to experimental testing in chemical risk assessment - case studies from the CADASTER Project. Preface. Alternatives to laboratory animals : ATLA, Issue 1, Vol. 41, 13-7 DOI: 10.1177/026119291304100104, PubMed: 23729050 |
Agarwal V, Linser R, Dasari M, Fink U, del Amo JM, Reif B (2013) Hydrogen bonding involving side chain exchangeable groups stabilizes amyloid quarternary structure. Physical chemistry chemical physics : PCCP, Issue 30, Vol. 15, 12551-7 DOI: 10.1039/c3cp44653k, PubMed: 23719770 |
Tetko IV, Sopasakis P, Kunwar P, Brandmaier S, Novoratskyi S, Charochkina L, Prokopenko V, Peijnenburg WJ (2013) Prioritisation of polybrominated diphenyl ethers (PBDEs) by using the QSPR-THESAURUS web tool. Alternatives to laboratory animals : ATLA, Issue 1, Vol. 41, 127-35 DOI: 10.1177/026119291304100112, PubMed: 23614549 |
Cassani S, Kovarich S, Papa E, Roy PP, Rahmberg M, Nilsson S, Sahlin U, Jeliazkova N, Kochev N, Pukalov O, Tetko I, Brandmaier S, Durjava MK, Kolar B, Peijnenburg W, Gramatica P (2013) Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus prediction. Alternatives to laboratory animals : ATLA, Issue 1, Vol. 41, 49-64 DOI: 10.1177/026119291304100107, PubMed: 23614544 |
Brandmaier S, Novotarskyi S, Sushko I, Tetko IV (2013) From descriptors to predicted properties: experimental design by using applicability domain estimation. Alternatives to laboratory animals : ATLA, Issue 1, Vol. 41, 33-47 DOI: 10.1177/026119291304100106, PubMed: 23614543 |
Gräber M, Hell M, Gröst C, Friberg A, Sperl B, Sattler M, Berg T (2013) Oral disinfectants inhibit protein-protein interactions mediated by the anti-apoptotic protein Bcl-xL and induce apoptosis in human oral tumor cells. Angewandte Chemie (International ed. in English), Issue 16, Vol. 52, 4487-91 DOI: 10.1002/anie.201208889, PubMed: 23512547 |
Ravera E, Parigi G, Mainz A, Religa TL, Reif B, Luchinat C (2013) Experimental determination of microsecond reorientation correlation times in protein solutions. The journal of physical chemistry. B, Issue 13, Vol. 117, 3548-53 DOI: 10.1021/jp312561f, PubMed: 23477475 |
Hennig J, Wang I, Sonntag M, Gabel F, Sattler M (2013) Combining NMR and small angle X-ray and neutron scattering in the structural analysis of a ternary protein-RNA complex. Journal of biomolecular NMR, Issue 1, Vol. 56, 17-30 DOI: 10.1007/s10858-013-9719-9, PubMed: 23456097 |
Garg D, Beribisky AV, Ponterini G, Ligabue A, Marverti G, Martello A, Costi MP, Sattler M, Wade RC (2013) Translational repression of thymidylate synthase by targeting its mRNA. Nucleic acids research, Issue 7, Vol. 41, 4159-70 DOI: 10.1093/nar/gkt098, PubMed: 23423353 |
Dumitru CA, Bankfalvi A, Gu X, Eberhardt WE, Zeidler R, Lang S, Brandau S (2013) Neutrophils Activate Tumoral CORTACTIN to Enhance Progression of Orohypopharynx Carcinoma. Frontiers in immunology, Vol. 4, 33 DOI: 10.3389/fimmu.2013.00033, PubMed: 23423155 |
Etzkorn M, Raschle T, Hagn F, Gelev V, Rice AJ, Walz T, Wagner G (2013) Cell-free expressed bacteriorhodopsin in different soluble membrane mimetics: biophysical properties and NMR accessibility. Structure (London, England : 1993), Issue 3, Vol. 21, 394-401 DOI: 10.1016/j.str.2013.01.005, PubMed: 23415558 |
Dumitru CA, Bankfalvi A, Gu X, Zeidler R, Brandau S, Lang S (2013) AHNAK and inflammatory markers predict poor survival in laryngeal carcinoma. PloS one, Issue 2, Vol. 8, e56420 DOI: 10.1371/journal.pone.0056420, PubMed: 23409183 |
Walcher T, Xie Q, Sun J, Irmler M, Beckers J, Öztürk T, Niessing D, Stoykova A, Cvekl A, Ninkovic J, Götz M (2013) Functional dissection of the paired domain of Pax6 reveals molecular mechanisms of coordinating neurogenesis and proliferation. Development (Cambridge, England), Issue 5, Vol. 140, 1123-36 DOI: 10.1242/dev.082875, PubMed: 23404109 |
Kateb F, Perrin H, Tripsianes K, Zou P, Spadaccini R, Bottomley M, Franzmann TM, Buchner J, Ansieau S, Sattler M (2013) Structural and functional analysis of the DEAF-1 and BS69 MYND domains. PloS one, Issue 1, Vol. 8, e54715 DOI: 10.1371/journal.pone.0054715, PubMed: 23372760 |
Asami S, Rakwalska-Bange M, Carlomagno T, Reif B (2013) Protein-RNA interfaces probed by 1H-detected MAS solid-state NMR spectroscopy. Angewandte Chemie (International ed. in English), Issue 8, Vol. 52, 2345-9 DOI: 10.1002/anie.201208024, PubMed: 23335059 |
Oprisiu I, Novotarskyi S, Tetko IV (2013) Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM). Journal of cheminformatics, Issue 1, Vol. 5, 4 DOI: 10.1186/1758-2946-5-4, PubMed: 23321019 |
Lee JH, Wittki S, Bräu T, Dreyer FS, Krätzel K, Dindorf J, Johnston IC, Gross S, Kremmer E, Zeidler R, Schlötzer-Schrehardt U, Lichtenheld M, Saksela K, Harrer T, Schuler G, Federico M, Baur AS (2013) HIV Nef, paxillin, and Pak1/2 regulate activation and secretion of TACE/ADAM10 proteases. Molecular cell, Issue 4, Vol. 49, 668-79 DOI: 10.1016/j.molcel.2012.12.004, PubMed: 23317503 |
Hagn F, Etzkorn M, Raschle T, Wagner G (2013) Optimized phospholipid bilayer nanodiscs facilitate high-resolution structure determination of membrane proteins. Journal of the American Chemical Society, Issue 5, Vol. 135, 1919-25 DOI: 10.1021/ja310901f, PubMed: 23294159 |
Zeitler B, Bernhard A, Meyer H, Sattler M, Koop HU, Lindermayr C (2013) Production of a de-novo designed antimicrobial peptide in Nicotiana benthamiana. Plant molecular biology, Issue 3, Vol. 81, 259-72 DOI: 10.1007/s11103-012-9996-9, PubMed: 23242916 |
Zhang Y, Madl T, Bagdiul I, Kern T, Kang HS, Zou P, Mäusbacher N, Sieber SA, Krämer A, Sattler M (2013) Structure, phosphorylation and U2AF65 binding of the N-terminal domain of splicing factor 1 during 3'-splice site recognition. Nucleic acids research, Issue 2, Vol. 41, 1343-54 DOI: 10.1093/nar/gks1097, PubMed: 23175611 |
Baek S, Kang NJ, Popowicz GM, Arciniega M, Jung SK, Byun S, Song NR, Heo YS, Kim BY, Lee HJ, Holak TA, Augustin M, Bode AM, Huber R, Dong Z, Lee KW (2013) Structural and functional analysis of the natural JNK1 inhibitor quercetagetin. Journal of molecular biology, Issue 2, Vol. 425, 411-23 DOI: 10.1016/j.jmb.2012.10.019, PubMed: 23142567 |
Martel S, Gillerat F, Carosati E, Maiarelli D, Tetko IV, Mannhold R, Carrupt PA (2013) Large, chemically diverse dataset of logP measurements for benchmarking studies. European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, Issue 1-2, Vol. 48, 21-9 DOI: 10.1016/j.ejps.2012.10.019, PubMed: 23131797 |
Hüls D, Niessing D (2012) Purification, crystallization and preliminary crystallographic analysis of Kar9p from Saccharomyces cerevisiae. Acta crystallographica. Section F, Structural biology and crystallization communications, Issue Pt 10, Vol. 68, 1251-4 DOI: 10.1107/S1744309112036342, PubMed: 23027760 |
Wang-Sattler R, Yu Z, Herder C, Messias AC, Floegel A, He Y, Heim K, Campillos M, Holzapfel C, Thorand B, Grallert H, Xu T, Bader E, Huth C, Mittelstrass K, Döring A, Meisinger C, Gieger C, Prehn C, Roemisch-Margl W, Carstensen M, Xie L, Yamanaka-Okumura H, Xing G, Ceglarek U, Thiery J, Giani G, Lickert H, Lin X, Li Y, Boeing H, Joost HG, de Angelis MH, Rathmann W, Suhre K, Prokisch H, Peters A, Meitinger T, Roden M, Wichmann HE, Pischon T, Adamski J, Illig T (2012) Novel biomarkers for pre-diabetes identified by metabolomics. Molecular systems biology, Vol. 8, 615 DOI: 10.1038/msb.2012.43, PubMed: 23010998 |
Mathioudakis N, Palencia A, Kadlec J, Round A, Tripsianes K, Sattler M, Pillai RS, Cusack S (2012) The multiple Tudor domain-containing protein TDRD1 is a molecular scaffold for mouse Piwi proteins and piRNA biogenesis factors. RNA (New York, N.Y.), Issue 11, Vol. 18, 2056-72 DOI: 10.1261/rna.034181.112, PubMed: 22996915 |
Markley JL, Akutsu H, Asakura T, Baldus M, Boelens R, Bonvin A, Kaptein R, Bax A, Bezsonova I, Gryk MR, Hoch JC, Korzhnev DM, Maciejewski MW, Case D, Chazin WJ, Cross TA, Dames S, Kessler H, Lange O, Madl T, Reif B, Sattler M, Eliezer D, Fersht A, Forman-Kay J, Kay LE, Fraser J, Gross J, Kortemme T, Sali A, Fujiwara T, Gardner K, Luo X, Rizo-Rey J, Rosen M, Gil RR, Ho C, Rule G, Gronenborn AM, Ishima R, Klein-Seetharaman J, Tang P, van der Wel P, Xu Y, Grzesiek S, Hiller S, Seelig J, Laue ED, Mott H, Nietlispach D, Barsukov I, Lian LY, Middleton D, Blumenschein T, Moore G, Campbell I, Schnell J, Vakonakis IJ, Watts A, Conte MR, Mason J, Pfuhl M, Sanderson MR, Craven J, Williamson M, Dominguez C, Roberts G, Günther U, Overduin M, Werner J, Williamson P, Blindauer C, Crump M, Driscoll P, Frenkiel T, Golovanov A, Matthews S, Parkinson J, Uhrin D, Williams M, Neuhaus D, Oschkinat H, Ramos A, Shaw DE, Steinbeck C, Vendruscolo M, Vuister GW, Walters KJ, Weinstein H, Wüthrich K, Yokoyama S (2012) In support of the BMRB. Nature structural & molecular biology, Issue 9, Vol. 19, 854-60 DOI: 10.1038/nsmb.2371, PubMed: 22955930 |
Asami S, Szekely K, Schanda P, Meier BH, Reif B (2012) Optimal degree of protonation for ¹H detection of aliphatic sites in randomly deuterated proteins as a function of the MAS frequency. Journal of biomolecular NMR, Issue 2, Vol. 54, 155-68 DOI: 10.1007/s10858-012-9659-9, PubMed: 22915373 |
Sushko I, Salmina E, Potemkin VA, Poda G, Tetko IV (2012) ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions. Journal of chemical information and modeling, Issue 8, Vol. 52, 2310-6 DOI: 10.1021/ci300245q, PubMed: 22876798 |
Demmer O, Frank AO, Hagn F, Schottelius M, Marinelli L, Cosconati S, Brack-Werner R, Kremb S, Wester HJ, Kessler H (2012) A conformationally frozen peptoid boosts CXCR4 affinity and anti-HIV activity. Angewandte Chemie (International ed. in English), Issue 32, Vol. 51, 8110-3 DOI: 10.1002/anie.201202090, PubMed: 22760863 |
Jansen RP, Niessing D (2012) Assembly of mRNA-protein complexes for directional mRNA transport in eukaryotes--an overview. Current protein & peptide science, Issue 4, Vol. 13, 284-93 DOI: 10.2174/138920312801619493, PubMed: 22708485 |
Ruiss R, Ohno S, Steer B, Zeidler R, Adler H (2012) Murine gammaherpesvirus 68 glycoprotein 150 does not contribute to latency amplification in vivo. Virology journal, Vol. 9, 107 DOI: 10.1186/1743-422X-9-107, PubMed: 22681851 |
Jochum S, Moosmann A, Lang S, Hammerschmidt W, Zeidler R (2012) The EBV immunoevasins vIL-10 and BNLF2a protect newly infected B cells from immune recognition and elimination. PLoS pathogens, Issue 5, Vol. 8, e1002704 DOI: 10.1371/journal.ppat.1002704, PubMed: 22615564 |
Aumiller V, Graebsch A, Kremmer E, Niessing D, Förstemann K (2012) Drosophila Pur-α binds to trinucleotide-repeat containing cellular RNAs and translocates to the early oocyte. RNA biology, Issue 5, Vol. 9, 633-43 DOI: 10.4161/rna.19760, PubMed: 22614836 |
Hagn F (2012) A structural view on spider silk proteins and their role in fiber assembly. Journal of peptide science : an official publication of the European Peptide Society, Issue 6, Vol. 18, 357-65 DOI: 10.1002/psc.2417, PubMed: 22570231 |
Lopez del Amo JM, Schmidt M, Fink U, Dasari M, Fändrich M, Reif B (2012) An asymmetric dimer as the basic subunit in Alzheimer's disease amyloid β fibrils. Angewandte Chemie (International ed. in English), Issue 25, Vol. 51, 6136-9 DOI: 10.1002/anie.201200965, PubMed: 22565601 |
Jochum S, Ruiss R, Moosmann A, Hammerschmidt W, Zeidler R (2012) RNAs in Epstein-Barr virions control early steps of infection. Proceedings of the National Academy of Sciences of the United States of America, Issue 21, Vol. 109, E1396-404 DOI: 10.1073/pnas.1115906109, PubMed: 22543160 |
Mackereth CD, Sattler M (2012) Dynamics in multi-domain protein recognition of RNA. Current opinion in structural biology, Issue 3, Vol. 22, 287-96 DOI: 10.1016/j.sbi.2012.03.013, PubMed: 22516180 |
Brandmaier S, Sahlin U, Tetko IV, Öberg T (2012) PLS-optimal: a stepwise D-optimal design based on latent variables. Journal of chemical information and modeling, Issue 4, Vol. 52, 975-83 DOI: 10.1021/ci3000198, PubMed: 22462577 |
Hüls D, Storchova Z, Niessing D (2012) Post-translational modifications regulate assembly of early spindle orientation complex in yeast. The Journal of biological chemistry, Issue 20, Vol. 287, 16238-45 DOI: 10.1074/jbc.M112.347872, PubMed: 22461628 |
Jacso T, Schneider E, Rupp B, Reif B (2012) Substrate transport activation is mediated through second periplasmic loop of transmembrane protein MalF in maltose transport complex of Escherichia coli. The Journal of biological chemistry, Issue 21, Vol. 287, 17040-17049 DOI: 10.1074/jbc.M112.340679, PubMed: 22451670 |
Koes D, Khoury K, Huang Y, Wang W, Bista M, Popowicz GM, Wolf S, Holak TA, Dömling A, Camacho CJ (2012) Enabling large-scale design, synthesis and validation of small molecule protein-protein antagonists. PloS one, Issue 3, Vol. 7, e32839 DOI: 10.1371/journal.pone.0032839, PubMed: 22427896 |
Tavanez JP, Madl T, Kooshapur H, Sattler M, Valcárcel J (2012) hnRNP A1 proofreads 3' splice site recognition by U2AF. Molecular cell, Issue 3, Vol. 45, 314-29 DOI: 10.1016/j.molcel.2011.11.033, PubMed: 22325350 |
Lopez del Amo JM, Fink U, Dasari M, Grelle G, Wanker EE, Bieschke J, Reif B (2012) Structural properties of EGCG-induced, nontoxic Alzheimer's disease Aβ oligomers. Journal of molecular biology, Issue 4-5, Vol. 421, 517-24 DOI: 10.1016/j.jmb.2012.01.013, PubMed: 22300765 |
Reif B (2012) Ultra-high resolution in MAS solid-state NMR of perdeuterated proteins: implications for structure and dynamics. Journal of magnetic resonance (San Diego, Calif. : 1997), Vol. 216, 1-12 DOI: 10.1016/j.jmr.2011.12.017, PubMed: 22280934 |
Holdermann I, Meyer NH, Round A, Wild K, Sattler M, Sinning I (2012) Chromodomains read the arginine code of post-translational targeting. Nature structural & molecular biology, Issue 2, Vol. 19, 260-3 DOI: 10.1038/nsmb.2196, PubMed: 22231402 |
Schmid AB, Lagleder S, Gräwert MA, Röhl A, Hagn F, Wandinger SK, Cox MB, Demmer O, Richter K, Groll M, Kessler H, Buchner J (2012) The architecture of functional modules in the Hsp90 co-chaperone Sti1/Hop. The EMBO journal, Issue 6, Vol. 31, 1506-17 DOI: 10.1038/emboj.2011.472, PubMed: 22227520 |
Reif B (2012) Deuterated peptides and proteins: structure and dynamics studies by MAS solid-state NMR. Methods in molecular biology (Clifton, N.J.), Vol. 831, 279-301 DOI: 10.1007/978-1-61779-480-3_16, PubMed: 22167680 |
Tetko IV (2012) The perspectives of computational chemistry modeling. Journal of computer-aided molecular design, Issue 1, Vol. 26, 135-6 DOI: 10.1007/s10822-011-9513-2, PubMed: 22160554 |
Heym RG, Niessing D (2012) Principles of mRNA transport in yeast. Cellular and molecular life sciences : CMLS, Issue 11, Vol. 69, 1843-53 DOI: 10.1007/s00018-011-0902-4, PubMed: 22159587 |
Baek S, Kutchukian PS, Verdine GL, Huber R, Holak TA, Lee KW, Popowicz GM (2012) Structure of the stapled p53 peptide bound to Mdm2. Journal of the American Chemical Society, Issue 1, Vol. 134, 103-6 DOI: 10.1021/ja2090367, PubMed: 22148351 |
Asami S, Reif B (2012) Assignment strategies for aliphatic protons in the solid-state in randomly protonated proteins. Journal of biomolecular NMR, Issue 1, Vol. 52, 31-9 DOI: 10.1007/s10858-011-9591-4, PubMed: 22138787 |
Jacso T, Franks WT, Rose H, Fink U, Broecker J, Keller S, Oschkinat H, Reif B (2012) Characterization of membrane proteins in isolated native cellular membranes by dynamic nuclear polarization solid-state NMR spectroscopy without purification and reconstitution. Angewandte Chemie (International ed. in English), Issue 2, Vol. 51, 432-5 DOI: 10.1002/anie.201104987, PubMed: 22113890 |
Tripsianes K, Madl T, Machyna M, Fessas D, Englbrecht C, Fischer U, Neugebauer KM, Sattler M (2011) Structural basis for dimethylarginine recognition by the Tudor domains of human SMN and SPF30 proteins. Nature structural & molecular biology, Issue 12, Vol. 18, 1414-20 DOI: 10.1038/nsmb.2185, PubMed: 22101937 |
Bieschke J, Herbst M, Wiglenda T, Friedrich RP, Boeddrich A, Schiele F, Kleckers D, Lopez del Amo JM, Grüning BA, Wang Q, Schmidt MR, Lurz R, Anwyl R, Schnoegl S, Fändrich M, Frank RF, Reif B, Günther S, Walsh DM, Wanker EE (2011) Small-molecule conversion of toxic oligomers to nontoxic β-sheet-rich amyloid fibrils. Nature chemical biology, Issue 1, Vol. 8, 93-101 DOI: 10.1038/nchembio.719, PubMed: 22101602 |
Mainz A, Bardiaux B, Kuppler F, Multhaup G, Felli IC, Pierattelli R, Reif B (2012) Structural and mechanistic implications of metal binding in the small heat-shock protein αB-crystallin. The Journal of biological chemistry, Issue 2, Vol. 287, 1128-38 DOI: 10.1074/jbc.M111.309047, PubMed: 22090033 |
Liokatis S, Edlich C, Soupsana K, Giannios I, Panagiotidou P, Tripsianes K, Sattler M, Georgatos SD, Politou AS (2012) Solution structure and molecular interactions of lamin B receptor Tudor domain. The Journal of biological chemistry, Issue 2, Vol. 287, 1032-42 DOI: 10.1074/jbc.M111.281303, PubMed: 22052904 |
Lalli D, Schanda P, Chowdhury A, Retel J, Hiller M, Higman VA, Handel L, Agarwal V, Reif B, van Rossum B, Akbey U, Oschkinat H (2011) Three-dimensional deuterium-carbon correlation experiments for high-resolution solid-state MAS NMR spectroscopy of large proteins. Journal of biomolecular NMR, Issue 4, Vol. 51, 477-85 DOI: 10.1007/s10858-011-9578-1, PubMed: 22038621 |
Ruiss R, Jochum S, Mocikat R, Hammerschmidt W, Zeidler R (2011) EBV-gp350 confers B-cell tropism to tailored exosomes and is a neo-antigen in normal and malignant B cells--a new option for the treatment of B-CLL. PloS one, Issue 10, Vol. 6, e25294 DOI: 10.1371/journal.pone.0025294, PubMed: 22022385 |
Ruiss R, Jochum S, Wanner G, Reisbach G, Hammerschmidt W, Zeidler R (2011) A virus-like particle-based Epstein-Barr virus vaccine. Journal of virology, Issue 24, Vol. 85, 13105-13 DOI: 10.1128/JVI.05598-11, PubMed: 21994444 |
Andratschke M, Luebbers CW, Johannson V, Schmitt B, Mack B, Zeidler R, Lang S, Wollenberg B, Gildehaus FJ (2011) Biodistribution of 131I-labeled anti-CK8 monoclonal antibody in HNSCC in xenotransplanted SCID mice. Anticancer research, Issue 10, Vol. 31, 3315-21 PubMed: 21965741 |
Huang Y, Wolf S, Koes D, Popowicz GM, Camacho CJ, Holak TA, Dömling A (2012) Exhaustive fluorine scanning toward potent p53-Mdm2 antagonists. ChemMedChem, Issue 1, Vol. 7, 49-52 DOI: 10.1002/cmdc.201100428, PubMed: 21954050 |
Duszczyk MM, Wutz A, Rybin V, Sattler M (2011) The Xist RNA A-repeat comprises a novel AUCG tetraloop fold and a platform for multimerization. RNA (New York, N.Y.), Issue 11, Vol. 17, 1973-82 DOI: 10.1261/rna.2747411, PubMed: 21947263 |
Kadam RU, Bergmann M, Hurley M, Garg D, Cacciarini M, Swiderska MA, Nativi C, Sattler M, Smyth AR, Williams P, Cámara M, Stocker A, Darbre T, Reymond JL (2011) A glycopeptide dendrimer inhibitor of the galactose-specific lectin LecA and of Pseudomonas aeruginosa biofilms. Angewandte Chemie (International ed. in English), Issue 45, Vol. 50, 10631-5 DOI: 10.1002/anie.201104342, PubMed: 21919164 |
Hagn F, Lagleder S, Retzlaff M, Rohrberg J, Demmer O, Richter K, Buchner J, Kessler H (2011) Structural analysis of the interaction between Hsp90 and the tumor suppressor protein p53. Nature structural & molecular biology, Issue 10, Vol. 18, 1086-93 DOI: 10.1038/nsmb.2114, PubMed: 21892170 |
Knöll R, Linke WA, Zou P, Miocic S, Kostin S, Buyandelger B, Ku CH, Neef S, Bug M, Schäfer K, Knöll G, Felkin LE, Wessels J, Toischer K, Hagn F, Kessler H, Didié M, Quentin T, Maier LS, Teucher N, Unsöld B, Schmidt A, Birks EJ, Gunkel S, Lang P, Granzier H, Zimmermann WH, Field LJ, Faulkner G, Dobbelstein M, Barton PJ, Sattler M, Wilmanns M, Chien KR (2011) Telethonin deficiency is associated with maladaptation to biomechanical stress in the mammalian heart. Circulation research, Issue 7, Vol. 109, 758-69 DOI: 10.1161/CIRCRESAHA.111.245787, PubMed: 21799151 |
Duszczyk MM, Sattler M (2012) ¹H, ¹³C, ¹⁵N and ³¹P chemical shift assignments of a human Xist RNA A-repeat tetraloop hairpin essential for X-chromosome inactivation. Biomolecular NMR assignments, Issue 1, Vol. 6, 75-7 DOI: 10.1007/s12104-011-9328-z, PubMed: 21779925 |
Mackereth CD, Madl T, Bonnal S, Simon B, Zanier K, Gasch A, Rybin V, Valcárcel J, Sattler M (2011) Multi-domain conformational selection underlies pre-mRNA splicing regulation by U2AF. Nature, Issue 7356, Vol. 475, 408-11 DOI: 10.1038/nature10171, PubMed: 21753750 |
Bertini I, Luchinat C, Parigi G, Ravera E, Reif B, Turano P (2011) Solid-state NMR of proteins sedimented by ultracentrifugation. Proceedings of the National Academy of Sciences of the United States of America, Issue 26, Vol. 108, 10396-9 DOI: 10.1073/pnas.1103854108, PubMed: 21670262 |
Sushko I, Novotarskyi S, Körner R, Pandey AK, Rupp M, Teetz W, Brandmaier S, Abdelaziz A, Prokopenko VV, Tanchuk VY, Todeschini R, Varnek A, Marcou G, Ertl P, Potemkin V, Grishina M, Gasteiger J, Schwab C, Baskin II, Palyulin VA, Radchenko EV, Welsh WJ, Kholodovych V, Chekmarev D, Cherkasov A, Aires-de-Sousa J, Zhang QY, Bender A, Nigsch F, Patiny L, Williams A, Tkachenko V, Tetko IV (2011) Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. Journal of computer-aided molecular design, Issue 6, Vol. 25, 533-54 DOI: 10.1007/s10822-011-9440-2, PubMed: 21660515 |
Mishra SK, Ammon T, Popowicz GM, Krajewski M, Nagel RJ, Ares Jr M, Holak TA, Jentsch S (2011) Role of the ubiquitin-like protein Hub1 in splice-site usage and alternative splicing. Nature, Issue 7350, Vol. 474, 173-8 DOI: 10.1038/nature10143, PubMed: 21614000 |
Novotarskyi S, Sushko I, Körner R, Pandey AK, Tetko IV (2011) A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition. Journal of chemical information and modeling, Issue 6, Vol. 51, 1271-80 DOI: 10.1021/ci200091h, PubMed: 21598906 |
Müller M, Heym RG, Mayer A, Kramer K, Schmid M, Cramer P, Urlaub H, Jansen RP, Niessing D (2011) A cytoplasmic complex mediates specific mRNA recognition and localization in yeast. PLoS biology, Issue 4, Vol. 9, e1000611 DOI: 10.1371/journal.pbio.1000611, PubMed: 21526221 |
Meyer NH, Schramm G, Sattler M (2011) 1H, 13C and 15N chemical shift assignments of IPSEΔNLS. Biomolecular NMR assignments, Issue 2, Vol. 5, 225-7 DOI: 10.1007/s12104-011-9305-6, PubMed: 21516468 |
Linser R, Dasari M, Hiller M, Higman V, Fink U, Lopez del Amo JM, Markovic S, Handel L, Kessler B, Schmieder P, Oesterhelt D, Oschkinat H, Reif B (2011) Proton-detected solid-state NMR spectroscopy of fibrillar and membrane proteins. Angewandte Chemie (International ed. in English), Issue 19, Vol. 50, 4508-12 DOI: 10.1002/anie.201008244, PubMed: 21495136 |
Rupp M, Körner R, Tetko IV (2011) Predicting the pKa of small molecule. Combinatorial chemistry & high throughput screening, Issue 5, Vol. 14, 307-27 DOI: 10.2174/138620711795508403, PubMed: 21470178 |
Kaden D, Munter LM, Reif B, Multhaup G (2012) The amyloid precursor protein and its homologues: structural and functional aspects of native and pathogenic oligomerization. European journal of cell biology, Issue 4, Vol. 91, 234-9 DOI: 10.1016/j.ejcb.2011.01.017, PubMed: 21459473 |
Madl T, Güttler T, Görlich D, Sattler M (2011) Structural analysis of large protein complexes using solvent paramagnetic relaxation enhancements. Angewandte Chemie (International ed. in English), Issue 17, Vol. 50, 3993-7 DOI: 10.1002/anie.201007168, PubMed: 21442693 |
Linser R, Bardiaux B, Higman V, Fink U, Reif B (2011) Structure calculation from unambiguous long-range amide and methyl 1H-1H distance restraints for a microcrystalline protein with MAS solid-state NMR spectroscopy. Journal of the American Chemical Society, Issue 15, Vol. 133, 5905-12 DOI: 10.1021/ja110222h, PubMed: 21434634 |
Vojnic E, Mourão A, Seizl M, Simon B, Wenzeck L, Larivière L, Baumli S, Baumgart K, Meisterernst M, Sattler M, Cramer P (2011) Structure and VP16 binding of the Mediator Med25 activator interaction domain. Nature structural & molecular biology, Issue 4, Vol. 18, 404-9 DOI: 10.1038/nsmb.1997, PubMed: 21378965 |
Popowicz GM, Dömling A, Holak TA (2011) The structure-based design of Mdm2/Mdmx-p53 inhibitors gets serious. Angewandte Chemie (International ed. in English), Issue 12, Vol. 50, 2680-8 DOI: 10.1002/anie.201003863, PubMed: 21341346 |
Battke C, Kremmer E, Mysliwietz J, Gondi G, Dumitru C, Brandau S, Lang S, Vullo D, Supuran C, Zeidler R (2011) Generation and characterization of the first inhibitory antibody targeting tumour-associated carbonic anhydrase XII. Cancer immunology, immunotherapy : CII, Issue 5, Vol. 60, 649-58 DOI: 10.1007/s00262-011-0980-z, PubMed: 21298264 |
Battke C, Ruiss R, Welsch U, Wimberger P, Lang S, Jochum S, Zeidler R (2011) Tumour exosomes inhibit binding of tumour-reactive antibodies to tumour cells and reduce ADCC. Cancer immunology, immunotherapy : CII, Issue 5, Vol. 60, 639-48 DOI: 10.1007/s00262-011-0979-5, PubMed: 21293856 |
Dasari M, Espargaro A, Sabate R, Lopez del Amo JM, Fink U, Grelle G, Bieschke J, Ventura S, Reif B (2011) Bacterial inclusion bodies of Alzheimer's disease β-amyloid peptides can be employed to study native-like aggregation intermediate states. Chembiochem : a European journal of chemical biology, Issue 3, Vol. 12, 407-23 DOI: 10.1002/cbic.201000602, PubMed: 21290543 |
Christian F, Szaszák M, Friedl S, Drewianka S, Lorenz D, Goncalves A, Furkert J, Vargas C, Schmieder P, Götz F, Zühlke K, Moutty M, Göttert H, Joshi M, Reif B, Haase H, Morano I, Grossmann S, Klukovits A, Verli J, Gáspár R, Noack C, Bergmann M, Kass R, Hampel K, Kashin D, Genieser HG, Herberg FW, Willoughby D, Cooper DM, Baillie GS, Houslay MD, von Kries JP, Zimmermann B, Rosenthal W, Klussmann E (2011) Small molecule AKAP-protein kinase A (PKA) interaction disruptors that activate PKA interfere with compartmentalized cAMP signaling in cardiac myocytes. The Journal of biological chemistry, Issue 11, Vol. 286, 9079-96 DOI: 10.1074/jbc.M110.160614, PubMed: 21177871 |
Madl T, Gabel F, Sattler M (2011) NMR and small-angle scattering-based structural analysis of protein complexes in solution. Journal of structural biology, Issue 3, Vol. 173, 472-82 DOI: 10.1016/j.jsb.2010.11.004, PubMed: 21074620 |
Hagn F, Thamm C, Scheibel T, Kessler H (2011) pH-dependent dimerization and salt-dependent stabilization of the N-terminal domain of spider dragline silk--implications for fiber formation. Angewandte Chemie (International ed. in English), Issue 1, Vol. 50, 310-3 DOI: 10.1002/anie.201003795, PubMed: 21064058 |
Sushko I, Novotarskyi S, Körner R, Pandey AK, Cherkasov A, Li J, Gramatica P, Hansen K, Schroeter T, Müller KR, Xi L, Liu H, Yao X, Öberg T, Hormozdiari F, Dao P, Sahinalp C, Todeschini R, Polishchuk P, Artemenko A, Kuz'min V, Martin TM, Young DM, Fourches D, Muratov E, Tropsha A, Baskin I, Horvath D, Marcou G, Muller C, Varnek A, Prokopenko VV, Tetko IV (2010) Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set. Journal of chemical information and modeling, Issue 12, Vol. 50, 2094-111 DOI: 10.1021/ci100253r, PubMed: 21033656 |
Graebsch A, Roche S, Kostrewa D, Söding J, Niessing D (2010) Of bits and bugs--on the use of bioinformatics and a bacterial crystal structure to solve a eukaryotic repeat-protein structure. PloS one, Issue 10, Vol. 5, e13402 DOI: 10.1371/journal.pone.0013402, PubMed: 20976240 |
Güttler T, Madl T, Neumann P, Deichsel D, Corsini L, Monecke T, Ficner R, Sattler M, Görlich D (2010) NES consensus redefined by structures of PKI-type and Rev-type nuclear export signals bound to CRM1. Nature structural & molecular biology, Issue 11, Vol. 17, 1367-76 DOI: 10.1038/nsmb.1931, PubMed: 20972448 |
del Amo JM, Fink U, Reif B (2010) Quantification of protein backbone hydrogen-deuterium exchange rates by solid state NMR spectroscopy. Journal of biomolecular NMR, Issue 4, Vol. 48, 203-12 DOI: 10.1007/s10858-010-9450-8, PubMed: 20960033 |
Tripsianes K, Sattler M (2010) Repeat recognition. Structure (London, England : 1993), Issue 10, Vol. 18, 1228-9 DOI: 10.1016/j.str.2010.09.006, PubMed: 20947010 |
Asami S, Schmieder P, Reif B (2010) High resolution 1H-detected solid-state NMR spectroscopy of protein aliphatic resonances: access to tertiary structure information. Journal of the American Chemical Society, Issue 43, Vol. 132, 15133-5 DOI: 10.1021/ja106170h, PubMed: 20939587 |
Bhushan S, Meyer H, Starosta AL, Becker T, Mielke T, Berninghausen O, Sattler M, Wilson DN, Beckmann R (2010) Structural basis for translational stalling by human cytomegalovirus and fungal arginine attenuator peptide. Molecular cell, Issue 1, Vol. 40, 138-46 DOI: 10.1016/j.molcel.2010.09.009, PubMed: 20932481 |
Welker S, Rudolph B, Frenzel E, Hagn F, Liebisch G, Schmitz G, Scheuring J, Kerth A, Blume A, Weinkauf S, Haslbeck M, Kessler H, Buchner J (2010) Hsp12 is an intrinsically unstructured stress protein that folds upon membrane association and modulates membrane function. Molecular cell, Issue 4, Vol. 39, 507-20 DOI: 10.1016/j.molcel.2010.08.001, PubMed: 20797624 |
Krushelnitsky A, Zinkevich T, Reichert D, Chevelkov V, Reif B (2010) Microsecond time scale mobility in a solid protein as studied by the 15N R(1rho) site-specific NMR relaxation rates. Journal of the American Chemical Society, Issue 34, Vol. 132, 11850-3 DOI: 10.1021/ja103582n, PubMed: 20690699 |
Richter L, Munter LM, Ness J, Hildebrand PW, Dasari M, Unterreitmeier S, Bulic B, Beyermann M, Gust R, Reif B, Weggen S, Langosch D, Multhaup G (2010) Amyloid beta 42 peptide (Abeta42)-lowering compounds directly bind to Abeta and interfere with amyloid precursor protein (APP) transmembrane dimerization. Proceedings of the National Academy of Sciences of the United States of America, Issue 33, Vol. 107, 14597-602 DOI: 10.1073/pnas.1003026107, PubMed: 20679249 |
Friberg A, Oddone A, Klymenko T, Müller J, Sattler M (2010) Structure of an atypical Tudor domain in the Drosophila Polycomblike protein. Protein science : a publication of the Protein Society, Issue 10, Vol. 19, 1906-16 DOI: 10.1002/pro.476, PubMed: 20669242 |
Meyer NH, Tripsianes K, Vincendeau M, Madl T, Kateb F, Brack-Werner R, Sattler M (2010) Structural basis for homodimerization of the Src-associated during mitosis, 68-kDa protein (Sam68) Qua1 domain. The Journal of biological chemistry, Issue 37, Vol. 285, 28893-901 DOI: 10.1074/jbc.M110.126185, PubMed: 20610388 |
Czarna A, Beck B, Srivastava S, Popowicz GM, Wolf S, Huang Y, Bista M, Holak TA, Dömling A (2010) Robust generation of lead compounds for protein-protein interactions by computational and MCR chemistry: p53/Hdm2 antagonists. Angewandte Chemie (International ed. in English), Issue 31, Vol. 49, 5352-6 DOI: 10.1002/anie.201001343, PubMed: 20575124 |
Ducka AM, Joel P, Popowicz GM, Trybus KM, Schleicher M, Noegel AA, Huber R, Holak TA, Sitar T (2010) Structures of actin-bound Wiskott-Aldrich syndrome protein homology 2 (WH2) domains of Spire and the implication for filament nucleation. Proceedings of the National Academy of Sciences of the United States of America, Issue 26, Vol. 107, 11757-62 DOI: 10.1073/pnas.1005347107, PubMed: 20538977 |
Linser R, Fink U, Reif B (2010) Assignment of dynamic regions in biological solids enabled by spin-state selective NMR experiments. Journal of the American Chemical Society, Issue 26, Vol. 132, 8891-3 DOI: 10.1021/ja102612m, PubMed: 20536176 |
Hagn F, Eisoldt L, Hardy JG, Vendrely C, Coles M, Scheibel T, Kessler H (2010) A conserved spider silk domain acts as a molecular switch that controls fibre assembly. Nature, Issue 7295, Vol. 465, 239-42 DOI: 10.1038/nature08936, PubMed: 20463741 |
Madl T, Felli IC, Bertini I, Sattler M (2010) Structural analysis of protein interfaces from 13C direct-detected paramagnetic relaxation enhancements. Journal of the American Chemical Society, Issue 21, Vol. 132, 7285-7 DOI: 10.1021/ja1014508, PubMed: 20462243 |
Heuck A, Fetka I, Brewer DN, Hüls D, Munson M, Jansen RP, Niessing D (2010) The structure of the Myo4p globular tail and its function in ASH1 mRNA localization. The Journal of cell biology, Issue 3, Vol. 189, 497-510 DOI: 10.1083/jcb.201002076, PubMed: 20439999 |
Mourão A, Varrot A, Mackereth CD, Cusack S, Sattler M (2010) Structure and RNA recognition by the snRNA and snoRNA transport factor PHAX. RNA (New York, N.Y.), Issue 6, Vol. 16, 1205-16 DOI: 10.1261/rna.2009910, PubMed: 20430857 |
Chevelkov V, Xue Y, Linser R, Skrynnikov NR, Reif B (2010) Comparison of solid-state dipolar couplings and solution relaxation data provides insight into protein backbone dynamics. Journal of the American Chemical Society, Issue 14, Vol. 132, 5015-7 DOI: 10.1021/ja100645k, PubMed: 20297847 |
Popowicz GM, Czarna A, Wolf S, Wang K, Wang W, Dömling A, Holak TA (2010) Structures of low molecular weight inhibitors bound to MDMX and MDM2 reveal new approaches for p53-MDMX/MDM2 antagonist drug discovery. Cell cycle (Georgetown, Tex.), Issue 6, Vol. 9, 1104-11 DOI: 10.4161/cc.9.6.10956, PubMed: 20237429 |
Linser R, Fink U, Reif B (2010) Narrow carbonyl resonances in proton-diluted proteins facilitate NMR assignments in the solid-state. Journal of biomolecular NMR, Issue 1, Vol. 47, 1-6 DOI: 10.1007/s10858-010-9404-1, PubMed: 20232230 |
Retzlaff M, Hagn F, Mitschke L, Hessling M, Gugel F, Kessler H, Richter K, Buchner J (2010) Asymmetric activation of the hsp90 dimer by its cochaperone aha1. Molecular cell, Issue 3, Vol. 37, 344-54 DOI: 10.1016/j.molcel.2010.01.006, PubMed: 20159554 |
Agarwal V, Linser R, Fink U, Faelber K, Reif B (2010) Identification of hydroxyl protons, determination of their exchange dynamics, and characterization of hydrogen bonding in a microcrystallin protein. Journal of the American Chemical Society, Issue 9, Vol. 132, 3187-95 DOI: 10.1021/ja910167q, PubMed: 20158253 |
Simon B, Madl T, Mackereth CD, Nilges M, Sattler M (2010) An efficient protocol for NMR-spectroscopy-based structure determination of protein complexes in solution. Angewandte Chemie (International ed. in English), Issue 11, Vol. 49, 1967-70 DOI: 10.1002/anie.200906147, PubMed: 20148424 |
Hundsrucker C, Skroblin P, Christian F, Zenn HM, Popara V, Joshi M, Eichhorst J, Wiesner B, Herberg FW, Reif B, Rosenthal W, Klussmann E (2010) Glycogen synthase kinase 3beta interaction protein functions as an A-kinase anchoring protein. The Journal of biological chemistry, Issue 8, Vol. 285, 5507-21 DOI: 10.1074/jbc.M109.047944, PubMed: 20007971 |
Hagn F, Klein C, Demmer O, Marchenko N, Vaseva A, Moll UM, Kessler H (2010) BclxL changes conformation upon binding to wild-type but not mutant p53 DNA binding domain. The Journal of biological chemistry, Issue 5, Vol. 285, 3439-50 DOI: 10.1074/jbc.M109.065391, PubMed: 19955567 |
Villa AE, Tetko IV (2010) Cross-frequency coupling in mesiotemporal EEG recordings of epileptic patients. Journal of physiology, Paris, Issue 3-4, Vol. 104, 197-202 DOI: 10.1016/j.jphysparis.2009.11.024, PubMed: 19944158 |
Tetko IV, Poda GI, Ostermann C, Mannhold R (2009) Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound. Chemistry & biodiversity, Issue 11, Vol. 6, 1837-44 DOI: 10.1002/cbdv.200900075, PubMed: 19937825 |
Graebsch A, Roche S, Niessing D (2009) X-ray structure of Pur-alpha reveals a Whirly-like fold and an unusual nucleic-acid binding surface. Proceedings of the National Academy of Sciences of the United States of America, Issue 44, Vol. 106, 18521-6 DOI: 10.1073/pnas.0907990106, PubMed: 19846792 |
Mainz A, Jehle S, van Rossum BJ, Oschkinat H, Reif B (2009) Large protein complexes with extreme rotational correlation times investigated in solution by magic-angle-spinning NMR spectroscopy. Journal of the American Chemical Society, Issue 44, Vol. 131, 15968-9 DOI: 10.1021/ja904733v, PubMed: 19839609 |
Chevelkov V, Fink U, Reif B (2009) Accurate determination of order parameters from 1H,15N dipolar couplings in MAS solid-state NMR experiments. Journal of the American Chemical Society, Issue 39, Vol. 131, 14018-22 DOI: 10.1021/ja902649u, PubMed: 19743845 |
Szwagierczak A, Antonenka U, Popowicz GM, Sitar T, Holak TA, Rakin A (2009) Structures of the arm-type binding domains of HPI and HAI7 integrases. The Journal of biological chemistry, Issue 46, Vol. 284, 31664-71 DOI: 10.1074/jbc.M109.059261, PubMed: 19737930 |
Linser R, Fink U, Reif B (2009) Probing surface accessibility of proteins using paramagnetic relaxation in solid-state NMR spectroscopy. Journal of the American Chemical Society, Issue 38, Vol. 131, 13703-8 DOI: 10.1021/ja903892j, PubMed: 19736939 |
Müller M, Richter K, Heuck A, Kremmer E, Buchner J, Jansen RP, Niessing D (2009) Formation of She2p tetramers is required for mRNA binding, mRNP assembly, and localization. RNA (New York, N.Y.), Issue 11, Vol. 15, 2002-12 DOI: 10.1261/rna.1753309, PubMed: 19710186 |
Akbey U, Lange S, Trent Franks W, Linser R, Rehbein K, Diehl A, van Rossum BJ, Reif B, Oschkinat H (2010) Optimum levels of exchangeable protons in perdeuterated proteins for proton detection in MAS solid-state NMR spectroscopy. Journal of biomolecular NMR, Issue 1, Vol. 46, 67-73 DOI: 10.1007/s10858-009-9369-0, PubMed: 19701607 |
Krushelnitsky A, deAzevedo E, Linser R, Reif B, Saalwächter K, Reichert D (2009) Direct observation of millisecond to second motions in proteins by dipolar CODEX NMR spectroscopy. Journal of the American Chemical Society, Issue 34, Vol. 131, 12097-9 DOI: 10.1021/ja9038888, PubMed: 19673476 |
Buschmann H, Hauptmann M, Niessing D, Lloyd CW, Schäffner AR (2009) Helical growth of the Arabidopsis mutant tortifolia2 does not depend on cell division patterns but involves handed twisting of isolated cells. The Plant cell, Issue 7, Vol. 21, 2090-106 DOI: 10.1105/tpc.108.061242, PubMed: 19638477 |
Jacso T, Grote M, Schmieder P, Schneider E, Reif B (2009) NMR assignments of the periplasmic loop P2 of the MalF subunit of the maltose ATP binding cassette transporter. Biomolecular NMR assignments, Issue 1, Vol. 3, 21-3 DOI: 10.1007/s12104-008-9131-7, PubMed: 19636938 |
Rumpf J, Simon B, Groemping Y, Sattler M (2008) 1H, 13C, and 15N chemical shift assignments for the Eps15-EH2-stonin 2 complex. Biomolecular NMR assignments, Issue 1, Vol. 2, 55-8 DOI: 10.1007/s12104-008-9083-y, PubMed: 19636924 |
Corsini L, Sattler M (2008) Backbone assignment of the UHM domain of Puf60 free and bound to five ligands. Biomolecular NMR assignments, Issue 2, Vol. 2, 211-4 DOI: 10.1007/s12104-008-9123-7, PubMed: 19636907 |
Chevelkov V, Fink U, Reif B (2009) Quantitative analysis of backbone motion in proteins using MAS solid-state NMR spectroscopy. Journal of biomolecular NMR, Issue 1-2, Vol. 45, 197-206 DOI: 10.1007/s10858-009-9348-5, PubMed: 19629713 |
Clerici M, Mourão A, Gutsche I, Gehring NH, Hentze MW, Kulozik A, Kadlec J, Sattler M, Cusack S (2009) Unusual bipartite mode of interaction between the nonsense-mediated decay factors, UPF1 and UPF2. The EMBO journal, Issue 15, Vol. 28, 2293-306 DOI: 10.1038/emboj.2009.175, PubMed: 19556969 |
Thoms S, Max KE, Wunderlich M, Jacso T, Lilie H, Reif B, Heinemann U, Schmid FX (2009) Dimer formation of a stabilized Gbeta1 variant: a structural and energetic analysis. Journal of molecular biology, Issue 5, Vol. 391, 918-32 DOI: 10.1016/j.jmb.2009.06.031, PubMed: 19527728 |
Madl T, Sattler M (2009) Adhesion dance with raver. Structure (London, England : 1993), Issue 6, Vol. 17, 781-3 DOI: 10.1016/j.str.2009.05.004, PubMed: 19523894 |
Spichty M, Taly A, Hagn F, Kessler H, Barluenga S, Winssinger N, Karplus M (2009) The HSP90 binding mode of a radicicol-like E-oxime determined by docking, binding free energy estimations, and NMR 15N chemical shifts. Biophysical chemistry, Issue 3, Vol. 143, 111-23 DOI: 10.1016/j.bpc.2009.04.003, PubMed: 19482409 |
Czarna A, Popowicz GM, Pecak A, Wolf S, Dubin G, Holak TA (2009) High affinity interaction of the p53 peptide-analogue with human Mdm2 and Mdmx. Cell cycle (Georgetown, Tex.), Issue 8, Vol. 8, 1176-84 DOI: 10.4161/cc.8.8.8185, PubMed: 19305137 |
Friberg A, Corsini L, Mourão A, Sattler M (2009) Structure and ligand binding of the extended Tudor domain of D. melanogaster Tudor-SN. Journal of molecular biology, Issue 4, Vol. 387, 921-34 DOI: 10.1016/j.jmb.2009.02.018, PubMed: 19232356 |
Neufeld C, Filipp FV, Simon B, Neuhaus A, Schüller N, David C, Kooshapur H, Madl T, Erdmann R, Schliebs W, Wilmanns M, Sattler M (2009) Structural basis for competitive interactions of Pex14 with the import receptors Pex5 and Pex19. The EMBO journal, Issue 6, Vol. 28, 745-54 DOI: 10.1038/emboj.2009.7, PubMed: 19197237 |
Stec-Niemczyk J, Pustelny K, Kisielewska M, Bista M, Boulware KT, Stennicke HR, Thogersen IB, Daugherty PS, Enghild JJ, Baczynski K, Popowicz GM, Dubin A, Potempa J, Dubin G (2009) Structural and functional characterization of SplA, an exclusively specific protease of Staphylococcus aureus. The Biochemical journal, Issue 3, Vol. 419, 555-64 DOI: 10.1042/BJ20081351, PubMed: 19175361 |
Jacso T, Grote M, Daus ML, Schmieder P, Keller S, Schneider E, Reif B (2009) Periplasmic loop P2 of the MalF subunit of the maltose ATP binding cassette transporter is sufficient to bind the maltose binding protein MalE. Biochemistry, Issue 10, Vol. 48, 2216-25 DOI: 10.1021/bi801376m, PubMed: 19159328 |
Varnek A, Gaudin C, Marcou G, Baskin I, Pandey AK, Tetko IV (2009) Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients. Journal of chemical information and modeling, Issue 1, Vol. 49, 133-44 DOI: 10.1021/ci8002914, PubMed: 19125628 |
Zuckerman V, Lenos K, Popowicz GM, Silberman I, Grossman T, Marine JC, Holak TA, Jochemsen AG, Haupt Y (2009) c-Abl phosphorylates Hdmx and regulates its interaction with p53. The Journal of biological chemistry, Issue 6, Vol. 284, 4031-9 DOI: 10.1074/jbc.M809211200, PubMed: 19075013 |
Bergmann C, Strauss L, Wieckowski E, Czystowska M, Albers A, Wang Y, Zeidler R, Lang S, Whiteside TL (2009) Tumor-derived microvesicles in sera of patients with head and neck cancer and their role in tumor progression. Head & neck, Issue 3, Vol. 31, 371-80 DOI: 10.1002/hed.20968, PubMed: 19073006 |
Agarwal V, Faelber K, Schmieder P, Reif B (2009) High-resolution double-quantum deuterium magic angle spinning solid-state NMR spectroscopy of perdeuterated proteins. Journal of the American Chemical Society, Issue 1, Vol. 131, 2-3 DOI: 10.1021/ja803620r, PubMed: 19072045 |
Tetko IV (2008) Associative neural network. Methods in molecular biology (Clifton, N.J.), Vol. 458, 185-202 DOI: 10.1007/978-1-60327-101-1_10, PubMed: 19065811 |
Agarwal V, Xue Y, Reif B, Skrynnikov NR (2008) Protein side-chain dynamics as observed by solution- and solid-state NMR spectroscopy: a similarity revealed. Journal of the American Chemical Society, Issue 49, Vol. 130, 16611-21 DOI: 10.1021/ja804275p, PubMed: 19049457 |
Duszczyk MM, Zanier K, Sattler M (2008) A NMR strategy to unambiguously distinguish nucleic acid hairpin and duplex conformations applied to a Xist RNA A-repeat. Nucleic acids research, Issue 22, Vol. 36, 7068-77 DOI: 10.1093/nar/gkn776, PubMed: 18987004 |
Bogomolovas J, Simon B, Sattler M, Stier G (2009) Screening of fusion partners for high yield expression and purification of bioactive viscotoxins. Protein expression and purification, Issue 1, Vol. 64, 16-23 DOI: 10.1016/j.pep.2008.10.003, PubMed: 18983922 |
Corsini L, Hothorn M, Stier G, Rybin V, Scheffzek K, Gibson TJ, Sattler M (2009) Dimerization and protein binding specificity of the U2AF homology motif of the splicing factor Puf60. The Journal of biological chemistry, Issue 1, Vol. 284, 630-639 DOI: 10.1074/jbc.M805395200, PubMed: 18974054 |
Radzimanowski J, Simon B, Sattler M, Beyreuther K, Sinning I, Wild K (2008) Structure of the intracellular domain of the amyloid precursor protein in complex with Fe65-PTB2. EMBO reports, Issue 11, Vol. 9, 1134-40 DOI: 10.1038/embor.2008.188, PubMed: 18833287 |
Corsini L, Hothorn M, Scheffzek K, Sattler M, Stier G (2008) Thioredoxin as a fusion tag for carrier-driven crystallization. Protein science : a publication of the Protein Society, Issue 12, Vol. 17, 2070-9 DOI: 10.1110/ps.037564.108, PubMed: 18780816 |
Elstner M, Andreoli C, Ahting U, Tetko I, Klopstock T, Meitinger T, Prokisch H (2008) MitoP2: an integrative tool for the analysis of the mitochondrial proteome. Molecular biotechnology, Issue 3, Vol. 40, 306-15 DOI: 10.1007/s12033-008-9100-5, PubMed: 18780189 |
Tetko IV, Sushko I, Pandey AK, Zhu H, Tropsha A, Papa E, Oberg T, Todeschini R, Fourches D, Varnek A (2008) Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection. Journal of chemical information and modeling, Issue 9, Vol. 48, 1733-46 DOI: 10.1021/ci800151m, PubMed: 18729318 |
Surmeli D, Ratmann O, Mewes HW, Tetko IV (2008) FunCat functional inference with belief propagation and feature integration. Computational biology and chemistry, Issue 5, Vol. 32, 375-7 DOI: 10.1016/j.compbiolchem.2008.06.004, PubMed: 18684672 |
Mannhold R, Poda GI, Ostermann C, Tetko IV (2009) Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds. Journal of pharmaceutical sciences, Issue 3, Vol. 98, 861-93 DOI: 10.1002/jps.21494, PubMed: 18683876 |
Rothweiler U, Czarna A, Weber L, Popowicz GM, Brongel K, Kowalska K, Orth M, Stemmann O, Holak TA (2008) NMR screening for lead compounds using tryptophan-mutated proteins. Journal of medicinal chemistry, Issue 16, Vol. 51, 5035-42 DOI: 10.1021/jm8002813, PubMed: 18680271 |
Popowicz GM, Czarna A, Holak TA (2008) Structure of the human Mdmx protein bound to the p53 tumor suppressor transactivation domain. Cell cycle (Georgetown, Tex.), Issue 15, Vol. 7, 2441-3 DOI: 10.4161/cc.6365, PubMed: 18677113 |
Agarwal V, Reif B (2008) Residual methyl protonation in perdeuterated proteins for multi-dimensional correlation experiments in MAS solid-state NMR spectroscopy. Journal of magnetic resonance (San Diego, Calif. : 1997), Issue 1, Vol. 194, 16-24 DOI: 10.1016/j.jmr.2008.05.021, PubMed: 18571955 |
Du TG, Jellbauer S, Müller M, Schmid M, Niessing D, Jansen RP (2008) Nuclear transit of the RNA-binding protein She2 is required for translational control of localized ASH1 mRNA. EMBO reports, Issue 8, Vol. 9, 781-7 DOI: 10.1038/embor.2008.112, PubMed: 18566598 |
Linser R, Fink U, Reif B (2008) Proton-detected scalar coupling based assignment strategies in MAS solid-state NMR spectroscopy applied to perdeuterated proteins. Journal of magnetic resonance (San Diego, Calif. : 1997), Issue 1, Vol. 193, 89-93 DOI: 10.1016/j.jmr.2008.04.021, PubMed: 18462963 |
Dubin G, Stec-Niemczyk J, Kisielewska M, Pustelny K, Popowicz GM, Bista M, Kantyka T, Boulware KT, Stennicke HR, Czarna A, Phopaisarn M, Daugherty PS, Thøgersen IB, Enghild JJ, Thornberry N, Dubin A, Potempa J (2008) Enzymatic activity of the Staphylococcus aureus SplB serine protease is induced by substrates containing the sequence Trp-Glu-Leu-Gln. Journal of molecular biology, Issue 2, Vol. 379, 343-56 DOI: 10.1016/j.jmb.2008.03.059, PubMed: 18448121 |
Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV (2008) Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis. Journal of chemical information and modeling, Issue 4, Vol. 48, 766-84 DOI: 10.1021/ci700443v, PubMed: 18311912 |
Tetko IV, Jaroszewicz I, Platts JA, Kuduk-Jaworska J (2008) Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods. Journal of inorganic biochemistry, Issue 7, Vol. 102, 1424-37 DOI: 10.1016/j.jinorgbio.2007.12.029, PubMed: 18289687 |
Spadaccini R, Perrin H, Bottomley MJ, Ansieau S, Sattler M (2008) Retraction notice to "Structure and functional analysis of the MYND domain" [J. Mol. Biol. (2006) 358, 498-508]. Journal of molecular biology, Issue 5, Vol. 376, 1523 DOI: 10.1016/j.jmb.2008.01.071, PubMed: 18286714 |
Chevelkov V, Diehl A, Reif B (2008) Measurement of 15N-T1 relaxation rates in a perdeuterated protein by magic angle spinning solid-state nuclear magnetic resonance spectroscopy. The Journal of chemical physics, Issue 5, Vol. 128, 052316 DOI: 10.1063/1.2819311, PubMed: 18266433 |
Wiesner M, Zentz C, Mayr C, Wimmer R, Hammerschmidt W, Zeidler R, Moosmann A (2008) Conditional immortalization of human B cells by CD40 ligation. PloS one, Issue 1, Vol. 3, e1464 DOI: 10.1371/journal.pone.0001464, PubMed: 18213373 |
Rumpf J, Simon B, Jung N, Maritzen T, Haucke V, Sattler M, Groemping Y (2008) Structure of the Eps15-stonin2 complex provides a molecular explanation for EH-domain ligand specificity. The EMBO journal, Issue 3, Vol. 27, 558-69 DOI: 10.1038/sj.emboj.7601980, PubMed: 18200045 |
Kaden D, Munter LM, Joshi M, Treiber C, Weise C, Bethge T, Voigt P, Schaefer M, Beyermann M, Reif B, Multhaup G (2008) Homophilic interactions of the amyloid precursor protein (APP) ectodomain are regulated by the loop region and affect beta-secretase cleavage of APP. The Journal of biological chemistry, Issue 11, Vol. 283, 7271-9 DOI: 10.1074/jbc.M708046200, PubMed: 18182389 |
Tetko IV, Rodchenkov IV, Walter MC, Rattei T, Mewes HW (2008) Beyond the 'best' match: machine learning annotation of protein sequences by integration of different sources of information. Bioinformatics (Oxford, England), Issue 5, Vol. 24, 621-8 DOI: 10.1093/bioinformatics/btm633, PubMed: 18174184 |
Chevelkov V, Diehl A, Reif B (2007) Quantitative measurement of differential 15N-H(alpha/beta)T2 relaxation rates in a perdeuterated protein by MAS solid-state NMR spectroscopy. Magnetic resonance in chemistry : MRC, Vol. 45 Suppl 1, S156-60 DOI: 10.1002/mrc.2129, PubMed: 18157805 |
Heuck A, Du TG, Jellbauer S, Richter K, Kruse C, Jaklin S, Müller M, Buchner J, Jansen RP, Niessing D (2007) Monomeric myosin V uses two binding regions for the assembly of stable translocation complexes. Proceedings of the National Academy of Sciences of the United States of America, Issue 50, Vol. 104, 19778-83 DOI: 10.1073/pnas.0706780104, PubMed: 18056806 |
Black SL, Stanley WA, Filipp FV, Bhairo M, Verma A, Wichmann O, Sattler M, Wilmanns M, Schultz C (2008) Probing lipid- and drug-binding domains with fluorescent dyes. Bioorganic & medicinal chemistry, Issue 3, Vol. 16, 1162-73 DOI: 10.1016/j.bmc.2007.10.080, PubMed: 18024138 |
Albermann K, Lang S, Zeidler R (2007) Molecular profiling for the identification of new biomarkers in smokers and cancer patients. Cancer genomics & proteomics, Issue 5, Vol. 4, 349-58 PubMed: 17993719 |
Agarwal V, Fink U, Schuldiner S, Reif B (2007) MAS solid-state NMR studies on the multidrug transporter EmrE. Biochimica et biophysica acta, Issue 12, Vol. 1768, 3036-43 DOI: 10.1016/j.bbamem.2007.09.012, PubMed: 17976529 |
Popowicz GM, Czarna A, Rothweiler U, Szwagierczak A, Krajewski M, Weber L, Holak TA (2007) Molecular basis for the inhibition of p53 by Mdmx. Cell cycle (Georgetown, Tex.), Issue 19, Vol. 6, 2386-92 DOI: 10.4161/cc.6.19.4740, PubMed: 17938582 |
Linser R, Chevelkov V, Diehl A, Reif B (2007) Sensitivity enhancement using paramagnetic relaxation in MAS solid-state NMR of perdeuterated proteins. Journal of magnetic resonance (San Diego, Calif. : 1997), Issue 2, Vol. 189, 209-16 DOI: 10.1016/j.jmr.2007.09.007, PubMed: 17923428 |
Chevelkov V, Zhuravleva AV, Xue Y, Reif B, Skrynnikov NR (2007) Combined analysis of (15)N relaxation data from solid- and solution-state NMR spectroscopy. Journal of the American Chemical Society, Issue 42, Vol. 129, 12594-5 DOI: 10.1021/ja073234s, PubMed: 17902660 |
Bergmann C, Strauss L, Zeidler R, Lang S, Whiteside TL (2007) Expansion of human T regulatory type 1 cells in the microenvironment of cyclooxygenase 2 overexpressing head and neck squamous cell carcinoma. Cancer research, Issue 18, Vol. 67, 8865-73 DOI: 10.1158/0008-5472.CAN-07-0767, PubMed: 17875728 |
Zeidler R, Albermann K, Lang S (2007) Nicotine and apoptosis. Apoptosis : an international journal on programmed cell death, Issue 11, Vol. 12, 1927-43 DOI: 10.1007/s10495-007-0102-8, PubMed: 17846896 |
Cuomo CA, Güldener U, Xu JR, Trail F, Turgeon BG, Di Pietro A, Walton JD, Ma LJ, Baker SE, Rep M, Adam G, Antoniw J, Baldwin T, Calvo S, Chang YL, Decaprio D, Gale LR, Gnerre S, Goswami RS, Hammond-Kosack K, Harris LJ, Hilburn K, Kennell JC, Kroken S, Magnuson JK, Mannhaupt G, Mauceli E, Mewes HW, Mitterbauer R, Muehlbauer G, Münsterkötter M, Nelson D, O'donnell K, Ouellet T, Qi W, Quesneville H, Roncero MI, Seong KY, Tetko IV, Urban M, Waalwijk C, Ward TJ, Yao J, Birren BW, Kistler HC (2007) The Fusarium graminearum genome reveals a link between localized polymorphism and pathogen specialization. Science (New York, N.Y.), Issue 5843, Vol. 317, 1400-2 DOI: 10.1126/science.1143708, PubMed: 17823352 |
Chevelkov V, Faelber K, Schrey A, Rehbein K, Diehl A, Reif B (2007) Differential line broadening in MAS solid-state NMR due to dynamic interference. Journal of the American Chemical Society, Issue 33, Vol. 129, 10195-200 DOI: 10.1021/ja072024c, PubMed: 17663552 |
Corsini L, Bonnal S, Basquin J, Hothorn M, Scheffzek K, Valcárcel J, Sattler M (2007) U2AF-homology motif interactions are required for alternative splicing regulation by SPF45. Nature structural & molecular biology, Issue 7, Vol. 14, 620-9 DOI: 10.1038/nsmb1260, PubMed: 17589525 |
Singh M, Popowicz GM, Krajewski M, Holak TA (2007) Structural ramification for acetyl-lysine recognition by the bromodomain of human BRG1 protein, a central ATPase of the SWI/SNF remodeling complex. Chembiochem : a European journal of chemical biology, Issue 11, Vol. 8, 1308-16 DOI: 10.1002/cbic.200600562, PubMed: 17582821 |
Filipp FV, Sattler M (2007) Conformational plasticity of the lipid transfer protein SCP2. Biochemistry, Issue 27, Vol. 46, 7980-91 DOI: 10.1021/bi6025616, PubMed: 17566986 |
Xue Y, Pavlova MS, Ryabov YE, Reif B, Skrynnikov NR (2007) Methyl rotation barriers in proteins from 2H relaxation data. Implications for protein structure. Journal of the American Chemical Society, Issue 21, Vol. 129, 6827-38 DOI: 10.1021/ja0702061, PubMed: 17488010 |
Kovalishyn VV, Kholodovych V, Tetko IV, Welsh WJ (2007) Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens. Journal of molecular graphics & modelling, Issue 2, Vol. 26, 591-4 DOI: 10.1016/j.jmgm.2007.03.005, PubMed: 17433745 |
Brumbaugh J, Schleifenbaum A, Stier G, Sattler M, Schultz C (2006) Single- and dual-parameter FRET kinase probes based on pleckstrin. Nature protocols, Issue 2, Vol. 1, 1044-55 DOI: 10.1038/nprot.2006.177, PubMed: 17406341 |
Lang S, Tiwari S, Andratschke M, Loehr I, Lauffer L, Bergmann C, Mack B, Lebeau A, Moosmann A, Whiteside TL, Zeidler R (2007) Immune restoration in head and neck cancer patients after in vivo COX-2 inhibition. Cancer immunology, immunotherapy : CII, Issue 10, Vol. 56, 1645-52 DOI: 10.1007/s00262-007-0312-5, PubMed: 17387473 |
Varnek A, Kireeva N, Tetko IV, Baskin II, Solov'ev VP (2007) Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points? Journal of chemical information and modeling, Issue 3, Vol. 47, 1111-22 DOI: 10.1021/ci600493x, PubMed: 17381081 |
Andratschke M, Gildehaus FJ, Johannson V, Schmitt B, Mack B, Reisbach G, Lang S, Lindhofer H, Zeidler R, Wollenberg B, Luebbers CW (2007) Biodistribution and radioimmunotherapy of SCCHN in xenotransplantated SCID mice with a 131I-labelled anti-EpCAM monoclonal antibody. Anticancer research, Issue 1A, Vol. 27, 431-6 PubMed: 17352264 |
Zentz C, Wiesner M, Man S, Frankenberger B, Wollenberg B, Hillemanns P, Zeidler R, Hammerschmidt W, Moosmann A (2007) Activated B cells mediate efficient expansion of rare antigen-specific T cells. Human immunology, Issue 2, Vol. 68, 75-85 DOI: 10.1016/j.humimm.2006.12.004, PubMed: 17321896 |
Corsini L, Sattler M (2007) Tudor hooks up with DNA repair. Nature structural & molecular biology, Issue 2, Vol. 14, 98-9 DOI: 10.1038/nsmb0207-98, PubMed: 17277801 |
Farré-Castany MA, Schwaller B, Gregory P, Barski J, Mariethoz C, Eriksson JL, Tetko IV, Wolfer D, Celio MR, Schmutz I, Albrecht U, Villa AE (2007) Differences in locomotor behavior revealed in mice deficient for the calcium-binding proteins parvalbumin, calbindin D-28k or both. Behavioural brain research, Issue 2, Vol. 178, 250-61 DOI: 10.1016/j.bbr.2007.01.002, PubMed: 17275105 |
Bergmann C, Strauss L, Zeidler R, Lang S, Whiteside TL (2007) Expansion and characteristics of human T regulatory type 1 cells in co-cultures simulating tumor microenvironment. Cancer immunology, immunotherapy : CII, Issue 9, Vol. 56, 1429-42 DOI: 10.1007/s00262-007-0280-9, PubMed: 17265021 |
Emmersen J, Rudd S, Mewes HW, Tetko IV (2007) Separation of sequences from host-pathogen interface using triplet nucleotide frequencies. Fungal genetics and biology : FG & B, Issue 4, Vol. 44, 231-41 DOI: 10.1016/j.fgb.2006.11.010, PubMed: 17218127 |
Verdoodt B, Benzinger A, Popowicz GM, Holak TA, Hermeking H (2006) Characterization of 14-3-3sigma dimerization determinants: requirement of homodimerization for inhibition of cell proliferation. Cell cycle (Georgetown, Tex.), Issue 24, Vol. 5, 2920-6 DOI: 10.4161/cc.5.24.3571, PubMed: 17172876 |
Oddone A, Lorentzen E, Basquin J, Gasch A, Rybin V, Conti E, Sattler M (2007) Structural and biochemical characterization of the yeast exosome component Rrp40. EMBO reports, Issue 1, Vol. 8, 63-9 DOI: 10.1038/sj.embor.7400856, PubMed: 17159918 |
Stanley WA, Filipp FV, Kursula P, Schüller N, Erdmann R, Schliebs W, Sattler M, Wilmanns M (2006) Recognition of a functional peroxisome type 1 target by the dynamic import receptor pex5p. Molecular cell, Issue 5, Vol. 24, 653-663 DOI: 10.1016/j.molcel.2006.10.024, PubMed: 17157249 |
Feige MJ, Hagn F, Esser J, Kessler H, Buchner J (2007) Influence of the internal disulfide bridge on the folding pathway of the CL antibody domain. Journal of molecular biology, Issue 4, Vol. 365, 1232-44 DOI: 10.1016/j.jmb.2006.10.049, PubMed: 17112539 |
Narayanan S, Kamps B, Boelens WC, Reif B (2006) alphaB-crystallin competes with Alzheimer's disease beta-amyloid peptide for peptide-peptide interactions and induces oxidation of Abeta-Met35. FEBS letters, Issue 25, Vol. 580, 5941-6 DOI: 10.1016/j.febslet.2006.09.063, PubMed: 17046756 |
Heller M, Sukopp M, Tsomaia N, John M, Mierke DF, Reif B, Kessler H (2006) The conformation of cyclo(-D-Pro-Ala4-) as a model for cyclic pentapeptides of the DL4 type. Journal of the American Chemical Society, Issue 42, Vol. 128, 13806-14 DOI: 10.1021/ja063174a, PubMed: 17044709 |
Agarwal V, Diehl A, Skrynnikov N, Reif B (2006) High resolution 1H detected 1H,13C correlation spectra in MAS solid-state NMR using deuterated proteins with selective 1H,2H isotopic labeling of methyl groups. Journal of the American Chemical Society, Issue 39, Vol. 128, 12620-1 DOI: 10.1021/ja064379m, PubMed: 17002335 |
Reif B, Xue Y, Agarwal V, Pavlova MS, Hologne M, Diehl A, Ryabov YE, Skrynnikov NR (2006) Protein side-chain dynamics observed by solution- and solid-state NMR: comparative analysis of methyl 2H relaxation data. Journal of the American Chemical Society, Issue 38, Vol. 128, 12354-5 DOI: 10.1021/ja062808a, PubMed: 16984151 |
Ahlemann M, Zeidler R, Lang S, Mack B, Münz M, Gires O (2006) Carcinoma-associated eIF3i overexpression facilitates mTOR-dependent growth transformation. Molecular carcinogenesis, Issue 12, Vol. 45, 957-67 DOI: 10.1002/mc.20269, PubMed: 16929481 |
Sitar T, Popowicz GM, Siwanowicz I, Huber R, Holak TA (2006) Structural basis for the inhibition of insulin-like growth factors by insulin-like growth factor-binding proteins. Proceedings of the National Academy of Sciences of the United States of America, Issue 35, Vol. 103, 13028-33 DOI: 10.1073/pnas.0605652103, PubMed: 16924115 |
Messias AC, Harnisch C, Ostareck-Lederer A, Sattler M, Ostareck DH (2006) The DICE-binding activity of KH domain 3 of hnRNP K is affected by c-Src-mediated tyrosine phosphorylation. Journal of molecular biology, Issue 3, Vol. 361, 470-81 DOI: 10.1016/j.jmb.2006.06.025, PubMed: 16854432 |
Tetko IV, Bruneau P, Mewes HW, Rohrer DC, Poda GI (2006) Can we estimate the accuracy of ADME-Tox predictions? Drug discovery today, Issue 15-16, Vol. 11, 700-7 DOI: 10.1016/j.drudis.2006.06.013, PubMed: 16846797 |
Soares LM, Zanier K, Mackereth C, Sattler M, Valcárcel J (2006) Intron removal requires proofreading of U2AF/3' splice site recognition by DEK. Science (New York, N.Y.), Issue 5782, Vol. 312, 1961-5 DOI: 10.1126/science.1128659, PubMed: 16809543 |
Popowicz GM, Schleicher M, Noegel AA, Holak TA (2006) Filamins: promiscuous organizers of the cytoskeleton. Trends in biochemical sciences, Issue 7, Vol. 31, 411-9 DOI: 10.1016/j.tibs.2006.05.006, PubMed: 16781869 |
Ahlemann M, Schmitt B, Stieber P, Gires O, Lang S, Zeidler R (2006) Evaluation of CK8-specific autoantibodies in carcinomas of distinct localisations. Anticancer research, Issue 1B, Vol. 26, 783-9 PubMed: 16739354 |
Lescrinier E, Nauwelaerts K, Zanier K, Poesen K, Sattler M, Herdewijn P (2006) The naturally occurring N6-threonyl adenine in anticodon loop of Schizosaccharomyces pombe tRNAi causes formation of a unique U-turn motif. Nucleic acids research, Issue 10, Vol. 34, 2878-86 DOI: 10.1093/nar/gkl081, PubMed: 16738127 |
Kang CB, Ye H, Vivekanandan S, Simon B, Sattler M, Yoon HS (2006) Backbone 1H, 13C, and 15N resonance assignments of the N-terminal domain of FKBP38 (FKBP38NTD). Journal of biomolecular NMR, Vol. 36 Suppl 1, 37 DOI: 10.1007/s10858-006-9001-5, PubMed: 16718587 |
Mikolajka A, Yan X, Popowicz GM, Smialowski P, Nigg EA, Holak TA (2006) Structure of the N-terminal domain of the FOP (FGFR1OP) protein and implications for its dimerization and centrosomal localization. Journal of molecular biology, Issue 4, Vol. 359, 863-75 DOI: 10.1016/j.jmb.2006.03.070, PubMed: 16690081 |
Chevelkov V, Rehbein K, Diehl A, Reif B (2006) Ultrahigh resolution in proton solid-state NMR spectroscopy at high levels of deuteration. Angewandte Chemie (International ed. in English), Issue 23, Vol. 45, 3878-81 DOI: 10.1002/anie.200600328, PubMed: 16646097 |
Edlich C, Simon B, Sattler M, Muhle-Goll C (2006) New NMR assignment 1H, 13C, and 15N assignment of the second PH domain of human pleckstrin (234-350). Journal of biomolecular NMR, Vol. 36 Suppl 1, 21 DOI: 10.1007/s10858-005-6053-x, PubMed: 16642402 |
Tetko IV, Haberer G, Rudd S, Meyers B, Mewes HW, Mayer KF (2006) Spatiotemporal expression control correlates with intragenic scaffold matrix attachment regions (S/MARs) in Arabidopsis thaliana. PLoS computational biology, Issue 3, Vol. 2, e21 DOI: 10.1371/journal.pcbi.0020021, PubMed: 16604187 |
Pimienta G, Gabel F, Zanier K, Conti E, Sattler M (2006) Chemical shift backbone assignments of TAP-N, the 31 kDa cargo-binding region of the protein TAP. Journal of biomolecular NMR, Vol. 36 Suppl 1, 23 DOI: 10.1007/s10858-006-0002-1, PubMed: 16596343 |
Narayanan S, Walter S, Reif B (2006) Yeast prion-protein, sup35, fibril formation proceeds by addition and substraction of oligomers. Chembiochem : a European journal of chemical biology, Issue 5, Vol. 7, 757-65 DOI: 10.1002/cbic.200500382, PubMed: 16570324 |
Tetko IV, Solov'ev VP, Antonov AV, Yao X, Doucet JP, Fan B, Hoonakker F, Fourches D, Jost P, Lachiche N, Varnek A (2006) Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores. Journal of chemical information and modeling, Issue 2, Vol. 46, 808-19 DOI: 10.1021/ci0504216, PubMed: 16563012 |
Spadaccini R, Perrin H, Bottomley MJ, Ansieau S, Sattler M (2006) Structure and functional analysis of the MYND domain. Journal of molecular biology, Issue 2, Vol. 358, 498-508 DOI: 10.1016/j.jmb.2006.01.087, PubMed: 16527309 |
Mapelli M, Filipp FV, Rancati G, Massimiliano L, Nezi L, Stier G, Hagan RS, Confalonieri S, Piatti S, Sattler M, Musacchio A (2006) Determinants of conformational dimerization of Mad2 and its inhibition by p31comet. The EMBO journal, Issue 6, Vol. 25, 1273-84 DOI: 10.1038/sj.emboj.7601033, PubMed: 16525508 |
Popowicz GM, Dubin G, Stec-Niemczyk J, Czarny A, Dubin A, Potempa J, Holak TA (2006) Functional and structural characterization of Spl proteases from Staphylococcus aureus. Journal of molecular biology, Issue 1, Vol. 358, 270-9 DOI: 10.1016/j.jmb.2006.01.098, PubMed: 16516230 |
Spadaccini R, Reidt U, Dybkov O, Will C, Frank R, Stier G, Corsini L, Wahl MC, Lührmann R, Sattler M (2006) Biochemical and NMR analyses of an SF3b155-p14-U2AF-RNA interaction network involved in branch point definition during pre-mRNA splicing. RNA (New York, N.Y.), Issue 3, Vol. 12, 410-25 DOI: 10.1261/rna.2271406, PubMed: 16495236 |
Andratschke M, Hagedorn H, Luebbers CW, Schmitt B, Lang S, Zeidler R, Wollenberg B (2006) Limited suitability of EpCAM for molecular staging of tumor borders in head and neck cancer. Anticancer research, Issue 1A, Vol. 26, 153-8 PubMed: 16475692 |
Balakin KV, Savchuk NP, Tetko IV (2006) In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions. Current medicinal chemistry, Issue 2, Vol. 13, 223-41 DOI: 10.2174/092986706775197917, PubMed: 16472214 |
Richter K, Moser S, Hagn F, Friedrich R, Hainzl O, Heller M, Schlee S, Kessler H, Reinstein J, Buchner J (2006) Intrinsic inhibition of the Hsp90 ATPase activity. The Journal of biological chemistry, Issue 16, Vol. 281, 11301-11 DOI: 10.1074/jbc.M510142200, PubMed: 16461354 |
Gabel F, Simon B, Sattler M (2006) A target function for quaternary structural refinement from small angle scattering and NMR orientational restraints. European biophysics journal : EBJ, Issue 4, Vol. 35, 313-27 DOI: 10.1007/s00249-005-0037-3, PubMed: 16416140 |
Antonov AV, Tetko IV, Mewes HW (2006) A systematic approach to infer biological relevance and biases of gene network structures. Nucleic acids research, Issue 1, Vol. 34, e6 DOI: 10.1093/nar/gnj002, PubMed: 16407322 |
Brumbaugh J, Schleifenbaum A, Gasch A, Sattler M, Schultz C (2006) A dual parameter FRET probe for measuring PKC and PKA activity in living cells. Journal of the American Chemical Society, Issue 1, Vol. 128, 24-5 DOI: 10.1021/ja0562200, PubMed: 16390103 |
Scholz C, Eckert B, Hagn F, Schaarschmidt P, Balbach J, Schmid FX (2006) SlyD proteins from different species exhibit high prolyl isomerase and chaperone activities. Biochemistry, Issue 1, Vol. 45, 20-33 DOI: 10.1021/bi051922n, PubMed: 16388577 |
Ruepp A, Doudieu ON, van den Oever J, Brauner B, Dunger-Kaltenbach I, Fobo G, Frishman G, Montrone C, Skornia C, Wanka S, Rattei T, Pagel P, Riley L, Frishman D, Surmeli D, Tetko IV, Oesterheld M, Stümpflen V, Mewes HW (2006) The Mouse Functional Genome Database (MfunGD): functional annotation of proteins in the light of their cellular context. Nucleic acids research, Issue Database issue, Vol. 34, D568-71 DOI: 10.1093/nar/gkj074, PubMed: 16381934 |
Walz A, Andratschke M, Wollenberg B, Lindhofer H, Zeidler R (2005) Prednisolone reduces TNF-alpha release by PBMCs activated with a trifunctional bispecific antibody but not their anti-tumor activity. Anticancer research, Issue 6B, Vol. 25, 4239-43 PubMed: 16309222 |
Hologne M, Chen Z, Reif B (2006) Characterization of dynamic processes using deuterium in uniformly 2H,13C,15N enriched peptides by MAS solid-state NMR. Journal of magnetic resonance (San Diego, Calif. : 1997), Issue 1, Vol. 179, 20-8 DOI: 10.1016/j.jmr.2005.10.014, PubMed: 16289962 |
Vojnic E, Simon B, Strahl BD, Sattler M, Cramer P (2006) Structure and carboxyl-terminal domain (CTD) binding of the Set2 SRI domain that couples histone H3 Lys36 methylation to transcription. The Journal of biological chemistry, Issue 1, Vol. 281, 13-5 DOI: 10.1074/jbc.C500423200, PubMed: 16286474 |
Chen Z, Krause G, Reif B (2005) Structure and orientation of peptide inhibitors bound to beta-amyloid fibrils. Journal of molecular biology, Issue 4, Vol. 354, 760-76 DOI: 10.1016/j.jmb.2005.09.055, PubMed: 16271725 |
Lingel A, Simon B, Izaurralde E, Sattler M (2005) The structure of the flock house virus B2 protein, a viral suppressor of RNA interference, shows a novel mode of double-stranded RNA recognition. EMBO reports, Issue 12, Vol. 6, 1149-55 DOI: 10.1038/sj.embor.7400583, PubMed: 16270100 |
Tetko IV, Abagyan R, Oprea TI (2005) Surrogate data--a secure way to share corporate data. Journal of computer-aided molecular design, Issue 9-10, Vol. 19, 749-64 DOI: 10.1007/s10822-005-9013-3, PubMed: 16267691 |
Tetko IV (2005) Computing chemistry on the web. Drug discovery today, Issue 22, Vol. 10, 1497-500 DOI: 10.1016/S1359-6446(05)03584-1, PubMed: 16257371 |
Tetko IV, Gasteiger J, Todeschini R, Mauri A, Livingstone D, Ertl P, Palyulin VA, Radchenko EV, Zefirov NS, Makarenko AS, Tanchuk VY, Prokopenko VV (2005) Virtual computational chemistry laboratory--design and description. Journal of computer-aided molecular design, Issue 6, Vol. 19, 453-63 DOI: 10.1007/s10822-005-8694-y, PubMed: 16231203 |
Wiesner S, Hantschel O, Mackereth CD, Superti-Furga G, Sattler M (2005) NMR Assignment Reveals an alpha-Helical Fold for the F-Actin Binding Domain of Human Bcr-Abl/c-Abl. Journal of biomolecular NMR, Issue 4, Vol. 32, 335 DOI: 10.1007/s10858-005-8868-x, PubMed: 16211486 |
Arolas JL, Popowicz GM, Bronsoms S, Aviles FX, Huber R, Holak TA, Ventura S (2005) Study of a major intermediate in the oxidative folding of leech carboxypeptidase inhibitor: contribution of the fourth disulfide bond. Journal of molecular biology, Issue 4, Vol. 352, 961-75 DOI: 10.1016/j.jmb.2005.07.065, PubMed: 16126224 |
Hantschel O, Wiesner S, Güttler T, Mackereth CD, Rix LL, Mikes Z, Dehne J, Görlich D, Sattler M, Superti-Furga G (2005) Structural basis for the cytoskeletal association of Bcr-Abl/c-Abl. Molecular cell, Issue 4, Vol. 19, 461-73 DOI: 10.1016/j.molcel.2005.06.030, PubMed: 16109371 |
Hologne M, Faelber K, Diehl A, Reif B (2005) Characterization of dynamics of perdeuterated proteins by MAS solid-state NMR. Journal of the American Chemical Society, Issue 32, Vol. 127, 11208-9 DOI: 10.1021/ja051830l, PubMed: 16089426 |
Arolas JL, D'Silva L, Popowicz GM, Aviles FX, Holak TA, Ventura S (2005) NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor. Structure (London, England : 1993), Issue 8, Vol. 13, 1193-202 DOI: 10.1016/j.str.2005.05.008, PubMed: 16084391 |
Mackereth CD, Simon B, Sattler M (2005) Extending the size of protein-RNA complexes studied by nuclear magnetic resonance spectroscopy. Chembiochem : a European journal of chemical biology, Issue 9, Vol. 6, 1578-84 DOI: 10.1002/cbic.200500106, PubMed: 16075426 |
Antonov AV, Tetko IV, Kosykh D, Surmeli D, Mewes HW (2005) Exploiting scale-free information from expression data for cancer classification. Computational biology and chemistry, Issue 4, Vol. 29, 288-93 DOI: 10.1016/j.compbiolchem.2005.06.004, PubMed: 16039906 |
Backe PH, Messias AC, Ravelli RB, Sattler M, Cusack S (2005) X-ray crystallographic and NMR studies of the third KH domain of hnRNP K in complex with single-stranded nucleic acids. Structure (London, England : 1993), Issue 7, Vol. 13, 1055-67 DOI: 10.1016/j.str.2005.04.008, PubMed: 16004877 |
Rudd S, Tetko IV (2005) Eclair--a web service for unravelling species origin of sequences sampled from mixed host interfaces. Nucleic acids research, Issue Web Server issue, Vol. 33, W724-7 DOI: 10.1093/nar/gki434, PubMed: 15980572 |
Wiesner M, Zentz C, Hammer MH, Cobbold M, Kern F, Kolb HJ, Hammerschmidt W, Zeidler R, Moosmann A (2005) Selection of CMV-specific CD8+ and CD4+ T cells by mini-EBV-transformed B cell lines. European journal of immunology, Issue 7, Vol. 35, 2110-21 DOI: 10.1002/eji.200425936, PubMed: 15971271 |
Arolas JL, Popowicz GM, Lorenzo J, Sommerhoff CP, Huber R, Aviles FX, Holak TA (2005) The three-dimensional structures of tick carboxypeptidase inhibitor in complex with A/B carboxypeptidases reveal a novel double-headed binding mode. Journal of molecular biology, Issue 3, Vol. 350, 489-98 DOI: 10.1016/j.jmb.2005.05.015, PubMed: 15961103 |
Chevelkov V, Faelber K, Diehl A, Heinemann U, Oschkinat H, Reif B (2005) Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of alpha-spectrin by MAS solid-state NMR. Journal of biomolecular NMR, Issue 4, Vol. 31, 295-310 DOI: 10.1007/s10858-005-1718-z, PubMed: 15928996 |
Münz M, Zeidler R, Gires O (2005) The tumour-associated antigen EpCAM upregulates the fatty acid binding protein E-FABP. Cancer letters, Issue 1, Vol. 225, 151-7 DOI: 10.1016/j.canlet.2004.11.048, PubMed: 15922867 |
Benzinger A, Popowicz GM, Joy JK, Majumdar S, Holak TA, Hermeking H (2005) The crystal structure of the non-liganded 14-3-3sigma protein: insights into determinants of isoform specific ligand binding and dimerization. Cell research, Issue 4, Vol. 15, 219-27 DOI: 10.1038/sj.cr.7290290, PubMed: 15857576 |
Markwick PR, Sprangers R, Sattler M (2005) Local structure and anisotropic backbone dynamics from cross-correlated NMR relaxation in proteins. Angewandte Chemie (International ed. in English), Issue 21, Vol. 44, 3232-7 DOI: 10.1002/anie.200462495, PubMed: 15844105 |
Tetko IV, Facius A, Ruepp A, Mewes HW (2005) Super paramagnetic clustering of protein sequences. BMC bioinformatics, Vol. 6, 82 DOI: 10.1186/1471-2105-6-82, PubMed: 15804359 |
Tetko IV, Brauner B, Dunger-Kaltenbach I, Frishman G, Montrone C, Fobo G, Ruepp A, Antonov AV, Surmeli D, Mewes HW (2005) MIPS bacterial genomes functional annotation benchmark dataset. Bioinformatics (Oxford, England), Issue 10, Vol. 21, 2520-1 DOI: 10.1093/bioinformatics/bti380, PubMed: 15769832 |
Lingel A, Sattler M (2005) Novel modes of protein-RNA recognition in the RNAi pathway. Current opinion in structural biology, Issue 1, Vol. 15, 107-15 DOI: 10.1016/j.sbi.2005.01.010, PubMed: 15718141 |
Edlich C, Stier G, Simon B, Sattler M, Muhle-Goll C (2005) Structure and phosphatidylinositol-(3,4)-bisphosphate binding of the C-terminal PH domain of human pleckstrin. Structure (London, England : 1993), Issue 2, Vol. 13, 277-86 DOI: 10.1016/j.str.2004.11.012, PubMed: 15698571 |
Narayanan S, Reif B (2005) Characterization of chemical exchange between soluble and aggregated states of beta-amyloid by solution-state NMR upon variation of salt conditions. Biochemistry, Issue 5, Vol. 44, 1444-52 DOI: 10.1021/bi048264b, PubMed: 15683229 |
Wang Y, Tetko IV, Hall MA, Frank E, Facius A, Mayer KF, Mewes HW (2005) Gene selection from microarray data for cancer classification--a machine learning approach. Computational biology and chemistry, Issue 1, Vol. 29, 37-46 DOI: 10.1016/j.compbiolchem.2004.11.001, PubMed: 15680584 |
Bottomley MJ, Stier G, Pennacchini D, Legube G, Simon B, Akhtar A, Sattler M, Musco G (2005) NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease. The Journal of biological chemistry, Issue 12, Vol. 280, 11505-12 DOI: 10.1074/jbc.M413959200, PubMed: 15649886 |
Sattler MA, Mtasiwa D, Kiama M, Premji Z, Tanner M, Killeen GF, Lengeler C (2005) Habitat characterization and spatial distribution of Anopheles sp. mosquito larvae in Dar es Salaam (Tanzania) during an extended dry period. Malaria journal, Vol. 4, 4 DOI: 10.1186/1475-2875-4-4, PubMed: 15649333 |
Siwanowicz I, Popowicz GM, Wisniewska M, Huber R, Kuenkele KP, Lang K, Engh RA, Holak TA (2005) Structural basis for the regulation of insulin-like growth factors by IGF binding proteins. Structure (London, England : 1993), Issue 1, Vol. 13, 155-67 DOI: 10.1016/j.str.2004.11.009, PubMed: 15642270 |
Chevelkov V, Chen Z, Bermel W, Reif B (2005) Resolution enhancement in MAS solid-state NMR by application of 13C homonuclear scalar decoupling during acquisition. Journal of magnetic resonance (San Diego, Calif. : 1997), Issue 1, Vol. 172, 56-62 DOI: 10.1016/j.jmr.2004.09.017, PubMed: 15589408 |
Friedel CC, Jahn KH, Sommer S, Rudd S, Mewes HW, Tetko IV (2005) Support vector machines for separation of mixed plant-pathogen EST collections based on codon usage. Bioinformatics (Oxford, England), Issue 8, Vol. 21, 1383-8 DOI: 10.1093/bioinformatics/bti200, PubMed: 15585526 |
Civera C, Simon B, Stier G, Sattler M, Macias MJ (2005) Structure and dynamics of the human pleckstrin DEP domain: distinct molecular features of a novel DEP domain subfamily. Proteins, Issue 2, Vol. 58, 354-66 DOI: 10.1002/prot.20320, PubMed: 15573383 |
Niessing D, Hüttelmaier S, Zenklusen D, Singer RH, Burley SK (2004) She2p is a novel RNA binding protein with a basic helical hairpin motif. Cell, Issue 4, Vol. 119, 491-502 DOI: 10.1016/j.cell.2004.10.018, PubMed: 15537539 |
Tetko IV, Bruneau P (2004) Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database. Journal of pharmaceutical sciences, Issue 12, Vol. 93, 3103-10 DOI: 10.1002/jps.20217, PubMed: 15514985 |
Tetko IV, Poda GI (2004) Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds. Journal of medicinal chemistry, Issue 23, Vol. 47, 5601-4 DOI: 10.1021/jm049509l, PubMed: 15509156 |
Ruepp A, Zollner A, Maier D, Albermann K, Hani J, Mokrejs M, Tetko I, Güldener U, Mannhaupt G, Münsterkötter M, Mewes HW (2004) The FunCat, a functional annotation scheme for systematic classification of proteins from whole genomes. Nucleic acids research, Issue 18, Vol. 32, 5539-45 DOI: 10.1093/nar/gkh894, PubMed: 15486203 |
Schleifenbaum A, Stier G, Gasch A, Sattler M, Schultz C (2004) Genetically encoded FRET probe for PKC activity based on pleckstrin. Journal of the American Chemical Society, Issue 38, Vol. 126, 11786-7 DOI: 10.1021/ja0460155, PubMed: 15382901 |
Markwick PR, Sattler M (2004) Site-specific variations of carbonyl chemical shift anisotropies in proteins. Journal of the American Chemical Society, Issue 37, Vol. 126, 11424-5 DOI: 10.1021/ja047859r, PubMed: 15366873 |
Popowicz GM, Müller R, Noegel AA, Schleicher M, Huber R, Holak TA (2004) Molecular structure of the rod domain of dictyostelium filamin. Journal of molecular biology, Issue 5, Vol. 342, 1637-46 DOI: 10.1016/j.jmb.2004.08.017, PubMed: 15364587 |
Rauch J, Ahlemann M, Schaffrik M, Mack B, Ertongur S, Andratschke M, Zeidler R, Lang S, Gires O (2004) Allogenic antibody-mediated identification of head and neck cancer antigens. Biochemical and biophysical research communications, Issue 1, Vol. 323, 156-62 DOI: 10.1016/j.bbrc.2004.08.071, PubMed: 15351715 |
Chen Z, Reif B (2004) Measurements of residual dipolar couplings in peptide inhibitors weakly aligned by transient binding to peptide amyloid fibrils. Journal of biomolecular NMR, Issue 4, Vol. 29, 525-30 DOI: 10.1023/B:JNMR.0000034353.98902.4f, PubMed: 15243183 |
Peng C, Unger SW, Filipp FV, Sattler M, Szalma S (2004) Automated evaluation of chemical shift perturbation spectra: New approaches to quantitative analysis of receptor-ligand interaction NMR spectra. Journal of biomolecular NMR, Issue 4, Vol. 29, 491-504 DOI: 10.1023/B:JNMR.0000034351.37982.9e, PubMed: 15243180 |
Antonov AV, Tetko IV, Prokopenko VV, Kosykh D, Mewes HW (2004) A web portal for classification of expression data using maximal margin linear programming. Bioinformatics (Oxford, England), Issue 17, Vol. 20, 3284-5 DOI: 10.1093/bioinformatics/bth376, PubMed: 15217811 |
Lingel A, Simon B, Izaurralde E, Sattler M (2004) NMR assignment of the Drosophila Argonaute2 PAZ domain. Journal of biomolecular NMR, Issue 3, Vol. 29, 421-2 DOI: 10.1023/B:JNMR.0000032513.15693.04, PubMed: 15213449 |
Münz M, Kieu C, Mack B, Schmitt B, Zeidler R, Gires O (2004) The carcinoma-associated antigen EpCAM upregulates c-myc and induces cell proliferation. Oncogene, Issue 34, Vol. 23, 5748-58 DOI: 10.1038/sj.onc.1207610, PubMed: 15195135 |
Walz A, Mack B, Schmitt B, Gires O, Wollenberg B, Zeidler R (2004) Antitumour effects of a bispecific trivalent antibody in multicellular tumour spheroids. Anticancer research, Issue 2B, Vol. 24, 887-93 PubMed: 15161042 |
Lingel A, Simon B, Izaurralde E, Sattler M (2004) Nucleic acid 3'-end recognition by the Argonaute2 PAZ domain. Nature structural & molecular biology, Issue 6, Vol. 11, 576-7 DOI: 10.1038/nsmb777, PubMed: 15156196 |
Messias AC, Sattler M (2004) Structural basis of single-stranded RNA recognition. Accounts of chemical research, Issue 5, Vol. 37, 279-87 DOI: 10.1021/ar030034m, PubMed: 15147168 |
Ventura S, Zurdo J, Narayanan S, Parreño M, Mangues R, Reif B, Chiti F, Giannoni E, Dobson CM, Aviles FX, Serrano L (2004) Short amino acid stretches can mediate amyloid formation in globular proteins: the Src homology 3 (SH3) case. Proceedings of the National Academy of Sciences of the United States of America, Issue 19, Vol. 101, 7258-63 DOI: 10.1073/pnas.0308249101, PubMed: 15123800 |
Schlee M, Krug T, Gires O, Zeidler R, Hammerschmidt W, Mailhammer R, Laux G, Sauer G, Lovric J, Bornkamm GW (2004) Identification of Epstein-Barr virus (EBV) nuclear antigen 2 (EBNA2) target proteins by proteome analysis: activation of EBNA2 in conditionally immortalized B cells reflects early events after infection of primary B cells by EBV. Journal of virology, Issue 8, Vol. 78, 3941-52 DOI: 10.1128/jvi.78.8.3941-3952.2004, PubMed: 15047810 |
Antonov AV, Tetko IV, Mader MT, Budczies J, Mewes HW (2004) Optimization models for cancer classification: extracting gene interaction information from microarray expression data. Bioinformatics (Oxford, England), Issue 5, Vol. 20, 644-52 DOI: 10.1093/bioinformatics/btg462, PubMed: 15033871 |
Mavoungou C, Israel L, Rehm T, Ksiazek D, Krajewski M, Popowicz G, Noegel AA, Schleicher M, Holak TA (2004) NMR structural characterization of the N-terminal domain of the adenylyl cyclase-associated protein (CAP) from Dictyostelium discoideum. Journal of biomolecular NMR, Issue 1, Vol. 29, 73-84 DOI: 10.1023/B:JNMR.0000019513.86120.98, PubMed: 15017141 |
Andersson A, Almqvist J, Hagn F, Mäler L (2004) Diffusion and dynamics of penetratin in different membrane mimicking media. Biochimica et biophysica acta, Issue 1, Vol. 1661, 18-25 DOI: 10.1016/j.bbamem.2003.11.014, PubMed: 14967471 |
Simon B, Sattler M (2004) Speeding up biomolecular NMR spectroscopy. Angewandte Chemie (International ed. in English), Issue 7, Vol. 43, 782-6 DOI: 10.1002/anie.200301680, PubMed: 14767949 |
Dubin G, Popowicz G, Krajewski M, Potempa J, Dubin A, Holak TA (2004) 1H, 15N and 13C NMR resonance assignments of staphostatin A, a specific Staphylococcus aureus cysteine proteinase inhibitor. Journal of biomolecular NMR, Issue 3, Vol. 28, 295-6 DOI: 10.1023/B:JNMR.0000013681.37659.24, PubMed: 14752262 |
Amininasab M, Elmi MM, Endlich N, Endlich K, Parekh N, Naderi-Manesh H, Schaller J, Mostafavi H, Sattler M, Sarbolouki MN, Muhle-Goll C (2004) Functional and structural characterization of a novel member of the natriuretic family of peptides from the venom of Pseudocerastes persicus. FEBS letters, Issue 1-3, Vol. 557, 104-8 DOI: 10.1016/s0014-5793(03)01455-8, PubMed: 14741349 |
Dubin G, Krajewski M, Popowicz G, Stec-Niemczyk J, Bochtler M, Potempa J, Dubin A, Holak TA (2003) A novel class of cysteine protease inhibitors: solution structure of staphostatin A from Staphylococcus aureus. Biochemistry, Issue 46, Vol. 42, 13449-56 DOI: 10.1021/bi035310j, PubMed: 14621990 |
Lingel A, Simon B, Izaurralde E, Sattler M (2003) Structure and nucleic-acid binding of the Drosophila Argonaute 2 PAZ domain. Nature, Issue 6965, Vol. 426, 465-9 DOI: 10.1038/nature02123, PubMed: 14615801 |
Tetko IV (2003) The WWW as a tool to obtain molecular parameters. Mini reviews in medicinal chemistry, Issue 8, Vol. 3, 809-20 DOI: 10.2174/1389557033487638, PubMed: 14529500 |
Gires O, Eskofier S, Lang S, Zeidler R, Münz M (2003) Cloning and characterisation of a 1.1 kb fragment of the carcinoma-associated epithelial cell adhesion molecule promoter. Anticancer research, Issue 4, Vol. 23, 3255-61 PubMed: 12926061 |
Narayanan S, Bösl B, Walter S, Reif B (2003) Importance of low-oligomeric-weight species for prion propagation in the yeast prion system Sup35/Hsp104. Proceedings of the National Academy of Sciences of the United States of America, Issue 16, Vol. 100, 9286-91 DOI: 10.1073/pnas.1233535100, PubMed: 12876196 |
Leung T, Bischof J, Söll I, Niessing D, Zhang D, Ma J, Jäckle H, Driever W (2003) bozozok directly represses bmp2b transcription and mediates the earliest dorsoventral asymmetry of bmp2b expression in zebrafish. Development (Cambridge, England), Issue 16, Vol. 130, 3639-49 DOI: 10.1242/dev.00558, PubMed: 12835381 |
Chevelkov V, van Rossum BJ, Castellani F, Rehbein K, Diehl A, Hohwy M, Steuernagel S, Engelke F, Oschkinat H, Reif B (2003) 1H detection in MAS solid-state NMR spectroscopy of biomacromolecules employing pulsed field gradients for residual solvent suppression. Journal of the American Chemical Society, Issue 26, Vol. 125, 7788-9 DOI: 10.1021/ja029354b, PubMed: 12822982 |
Aksenova TI, Chibirova OK, Dryga OA, Tetko IV, Benabid AL, Villa AE (2003) An unsupervised automatic method for sorting neuronal spike waveforms in awake and freely moving animals. Methods (San Diego, Calif.), Issue 2, Vol. 30, 178-87 DOI: 10.1016/s1046-2023(03)00079-3, PubMed: 12725785 |
Selenko P, Gregorovic G, Sprangers R, Stier G, Rhani Z, Krämer A, Sattler M (2003) Structural basis for the molecular recognition between human splicing factors U2AF65 and SF1/mBBP. Molecular cell, Issue 4, Vol. 11, 965-76 DOI: 10.1016/s1097-2765(03)00115-1, PubMed: 12718882 |
Surdo PL, Bottomley MJ, Sattler M, Scheffzek K (2003) Crystal structure and nuclear magnetic resonance analyses of the SAND domain from glucocorticoid modulatory element binding protein-1 reveals deoxyribonucleic acid and zinc binding regions. Molecular endocrinology (Baltimore, Md.), Issue 7, Vol. 17, 1283-95 DOI: 10.1210/me.2002-0409, PubMed: 12702733 |
Pauli C, Münz M, Kieu C, Mack B, Breinl P, Wollenberg B, Lang S, Zeidler R, Gires O (2003) Tumor-specific glycosylation of the carcinoma-associated epithelial cell adhesion molecule EpCAM in head and neck carcinomas. Cancer letters, Issue 1, Vol. 193, 25-32 DOI: 10.1016/s0304-3835(03)00003-x, PubMed: 12691820 |
Villa AE, Tetko IV (1997) Efficient Partition of Learning Data Sets for Neural Network Training. Neural networks : the official journal of the International Neural Network Society, Issue 8, Vol. 10, 1361-1374 DOI: 10.1016/s0893-6080(97)00005-1, PubMed: 12662480 |
Bottomley MJ, Sattler M (2003) 1H, 13C and 15N backbone resonance assignments of the SAND domains from glucocorticoid modulatory element binding proteins-1 and -2. Journal of biomolecular NMR, Issue 3, Vol. 25, 259-60 DOI: 10.1023/a:1022817817312, PubMed: 12652142 |
Sprangers R, Groves MR, Sinning I, Sattler M (2003) High-resolution X-ray and NMR structures of the SMN Tudor domain: conformational variation in the binding site for symmetrically dimethylated arginine residues. Journal of molecular biology, Issue 2, Vol. 327, 507-20 DOI: 10.1016/s0022-2836(03)00148-7, PubMed: 12628254 |
Selenko P, Sattler M (2003) Switching off the switch. Structure (London, England : 1993), Issue 2, Vol. 11, 131-2 DOI: 10.1016/s0969-2126(03)00012-1, PubMed: 12575930 |
Reif B, Van Rossum BJ, Castellani F, Rehbein K, Diehl A, Oschkinat H (2003) Characterization of (1)H-(1)H distances in a uniformly (2)H,(15)N-labeled SH3 domain by MAS solid-state NMR spectroscopy (section sign). Journal of the American Chemical Society, Issue 6, Vol. 125, 1488-9 DOI: 10.1021/ja0283697, PubMed: 12568603 |
Sprangers R, Selenko P, Sattler M, Sinning I, Groves MR (2003) Definition of domain boundaries and crystallization of the SMN Tudor domain. Acta crystallographica. Section D, Biological crystallography, Issue Pt 2, Vol. 59, 366-8 DOI: 10.1107/s0907444902021406, PubMed: 12554955 |
Markwick PR, Sprangers R, Sattler M (2003) Dynamic effects on j-couplings across hydrogen bonds in proteins. Journal of the American Chemical Society, Issue 3, Vol. 125, 644-5 DOI: 10.1021/ja028875w, PubMed: 12526659 |
Simon B, Sattler M (2002) De novo structure determination from residual dipolar couplings by NMR spectroscopy. Angewandte Chemie (International ed. in English), Issue 3, Vol. 41, 437-40 DOI: 10.1002/1521-3773(20020201)41:3<437::aid-anie437>3.0.co;2-3, PubMed: 12491371 |
Lang S, Lauffer L, Clausen C, Löhr I, Schmitt B, Hölzel D, Wollenberg B, Gires O, Kastenbauer E, Zeidler R (2003) Impaired monocyte function in cancer patients: restoration with a cyclooxygenase-2 inhibitor. FASEB journal : official publication of the Federation of American Societies for Experimental Biology, Issue 2, Vol. 17, 286-8 DOI: 10.1096/fj.02-0417fje, PubMed: 12490541 |
Wiesner S, Stier G, Sattler M, Macias MJ (2002) Solution structure and ligand recognition of the WW domain pair of the yeast splicing factor Prp40. Journal of molecular biology, Issue 4, Vol. 324, 807-22 DOI: 10.1016/s0022-2836(02)01145-2, PubMed: 12460579 |
Douangamath A, Filipp FV, Klein AT, Barnett P, Zou P, Voorn-Brouwer T, Vega MC, Mayans OM, Sattler M, Distel B, Wilmanns M (2002) Topography for independent binding of alpha-helical and PPII-helical ligands to a peroxisomal SH3 domain. Molecular cell, Issue 5, Vol. 10, 1007-17 DOI: 10.1016/s1097-2765(02)00749-9, PubMed: 12453410 |
Tetko IV, Tanchuk VY (2002) Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program. Journal of chemical information and computer sciences, Issue 5, Vol. 42, 1136-45 DOI: 10.1021/ci025515j, PubMed: 12377001 |
Niessing D, Blanke S, Jäckle H (2002) Bicoid associates with the 5'-cap-bound complex of caudal mRNA and represses translation. Genes & development, Issue 19, Vol. 16, 2576-82 DOI: 10.1101/gad.240002, PubMed: 12368268 |
Rienstra CM, Hohwy M, Mueller LJ, Jaroniec CP, Reif B, Griffin RG (2002) Determination of multiple torsion-angle constraints in U-(13)C,(15)N-labeled peptides: 3D (1)H-(15)N-(13)C-(1)H dipolar chemical shift NMR spectroscopy in rotating solids. Journal of the American Chemical Society, Issue 40, Vol. 124, 11908-22 DOI: 10.1021/ja020802p, PubMed: 12358535 |
Kellenberger E, Stier G, Sattler M (2002) Induced folding of the U2AF35 RRM upon binding to U2AF65. FEBS letters, Issue 1-3, Vol. 528, 171-6 DOI: 10.1016/s0014-5793(02)03294-5, PubMed: 12297299 |
Moosmann A, Khan N, Cobbold M, Zentz C, Delecluse HJ, Hollweck G, Hislop AD, Blake NW, Croom-Carter D, Wollenberg B, Moss PA, Zeidler R, Rickinson AB, Hammerschmidt W (2002) B cells immortalized by a mini-Epstein-Barr virus encoding a foreign antigen efficiently reactivate specific cytotoxic T cells. Blood, Issue 5, Vol. 100, 1755-64 PubMed: 12176897 |
Rienstra CM, Tucker-Kellogg L, Jaroniec CP, Hohwy M, Reif B, McMahon MT, Tidor B, Lozano-Pérez T, Griffin RG (2002) De novo determination of peptide structure with solid-state magic-angle spinning NMR spectroscopy. Proceedings of the National Academy of Sciences of the United States of America, Issue 16, Vol. 99, 10260-5 DOI: 10.1073/pnas.152346599, PubMed: 12149447 |
Tetko IV (2002) Neural network studies. 4. Introduction to associative neural networks. Journal of chemical information and computer sciences, Issue 3, Vol. 42, 717-28 DOI: 10.1021/ci010379o, PubMed: 12086534 |
Zanier K, Luyten I, Crombie C, Muller B, Schümperli D, Linge JP, Nilges M, Sattler M (2002) Structure of the histone mRNA hairpin required for cell cycle regulation of histone gene expression. RNA (New York, N.Y.), Issue 1, Vol. 8, 29-46 DOI: 10.1017/s1355838202014061, PubMed: 11871659 |