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Intrinsically disordered RNA-binding motifs cooperate to catalyze RNA folding and drive phase separation.
Nucleic acids research
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Chin Sang C, Moore G, Tereshchenko M, Zhang H, Nosella ML, Dasovich M, Alderson TR, Leung AKL, Finkelstein IJ, Forman-Kay JD, Lee HO (2024)
PARP1 condensates differentially partition DNA repair proteins and enhance DNA ligation.
EMBO reports
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Han Z, Xia Z, Xia J, Tetko IV, Wu S (2024)
The state-of-the-art machine learning model for Plasma Protein Binding Prediction: computational modeling with OCHEM and experimental validation.
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 106946
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Santovito D, Henderson JM, Bidzhekov K, Triantafyllidou V, Jansen Y, Chen Z, Farina FM, Diagel A, Aslani M, Blanchet X, Schunkert H, Megens RTA, Döring Y, Sattler M, Weber C (2024)
Mex3a Protects Against Atherosclerosis: Evidence From Mice and Humans.
Circulation, Issue 15, Vol. 150, 1213-1216
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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
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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, Issue Pt 4, Vol. 280, 135510
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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
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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
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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
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Martínez-Lumbreras S, Morguet C, Sattler M (2024)
Dynamic interactions drive early spliceosome assembly.
Current opinion in structural biology, Vol. 88, 102907
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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
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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, Issue 2, Vol. 18, 201-212
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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
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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
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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 M^pro 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
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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
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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
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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
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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
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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
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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
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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
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Tetko IV (2024)
Tox24 Challenge.
Chemical research in toxicology, Issue 6, Vol. 37, 825-826
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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
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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
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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
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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
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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
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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
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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
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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 M^pro oligomerization as a potential target for therapy.
International journal of biological macromolecules, Issue Pt 1, Vol. 267, 131392
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Günsel U, Hagn F (2022)
Lipid Nanodiscs for High-Resolution NMR Studies of Membrane Proteins.
Chemical reviews, Issue 10, Vol. 122, 9395-9421
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Reif B, Ashbrook SE, Emsley L, Hong M (2021)
Solid-state NMR spectroscopy.
Nature reviews. Methods primers, Vol. 1
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Kleinstreuer NC, Tetko IV, Tong W (2021)
Introduction to Special Issue: Computational Toxicology.
Chemical research in toxicology, Issue 2, Vol. 34, 171-175
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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
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Alderson TR, Kay LE (2021)
NMR spectroscopy captures the essential role of dynamics in regulating biomolecular function.
Cell, Issue 3, Vol. 184, 577-595
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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
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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
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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
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Karpov P, Godin G, Tetko IV (2020)
Transformer-CNN: Swiss knife for QSAR modeling and interpretation.
Journal of cheminformatics, Issue 1, Vol. 12, 17
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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
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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
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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
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Tetko IV, Engkvist O (2020)
From Big Data to Artificial Intelligence: chemoinformatics meets new challenges.
Journal of cheminformatics, Issue 1, Vol. 12, 74
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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
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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
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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
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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
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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
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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
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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
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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
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Jussupow A, Messias AC, Stehle R, Geerlof A, Solbak SMØ, Paissoni C, Bach A, Sattler M, Camilloni C (2020)
The dynamics of linear polyubiquitin.
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Tausch F, Dietrich R, Schauer K, Janowski R, Niessing D, Märtlbauer E, Jessberger N (2017)
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Falk S, Tants JN, Basquin J, Thoms M, Hurt E, Sattler M, Conti E (2017)
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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.
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Sánchez-Rico C, Voith von Voithenberg L, Warner L, Lamb DC, Sattler M (2017)
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Alderson TR, Charlier C, Torchia DA, Anfinrud P, Bax A (2017)
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Hora M, Sarkar R, Morris V, Xue K, Prade E, Harding E, Buchner J, Reif B (2017)
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Hartlmüller C, Günther JC, Wolter AC, Wöhnert J, Sattler M, Madl T (2017)
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Kalel VC, Emmanouilidis L, Dawidowski M, Schliebs W, Sattler M, Popowicz GM, Erdmann R (2017)
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Pritišanac I, Degiacomi MT, Alderson TR, Carneiro MG, Ab E, Siegal G, Baldwin AJ (2017)
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Withnall M, Chen H, Tetko IV (2018)
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective.
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Sonntag M, Jagtap PKA, Simon B, Appavou MS, Geerlof A, Stehle R, Gabel F, Hennig J, Sattler M (2017)
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Alderson TR, Benesch JLP, Baldwin AJ (2017)
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Zhou P, Lan D, Popowicz GM, Wang X, Yang B, Wang Y (2017)
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Schlundt A, Buchner S, Janowski R, Heydenreich T, Heermann R, Lassak J, Geerlof A, Stehle R, Niessing D, Jung K, Sattler M (2017)
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Schlundt A, Tants JN, Sattler M (2017)
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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)
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Emmanouilidis L, Schütz U, Tripsianes K, Madl T, Radke J, Rucktäschel R, Wilmanns M, Schliebs W, Erdmann R, Sattler M (2017)
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Hora M, Carballo-Pacheco M, Weber B, Morris VK, Wittkopf A, Buchner J, Strodel B, Reif B (2017)
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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.
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Hora M, Carballo Pacheco M, Weber B, Buchner J, Strodel B, Reif B (2017)
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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.
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Nasr ML, Baptista D, Strauss M, Sun ZJ, Grigoriu S, Huser S, Plückthun A, Hagn F, Walz T, Hogle JM, Wagner G (2017)
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Voith von Voithenberg L, Sánchez-Rico C, Kang HS, Madl T, Zanier K, Barth A, Warner LR, Sattler M, Lamb DC (2016)
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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.
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Jagtap PK, Garg D, Kapp TG, Will CL, Demmer O, Lührmann R, Kessler H, Sattler M (2016)
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Zierer BK, Rübbelke M, Tippel F, Madl T, Schopf FH, Rutz DA, Richter K, Sattler M, Buchner J (2016)
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Janowski R, Scanu S, Niessing D, Madl T (2016)
Crystal and solution structural studies of mouse phospholipid hydroperoxide glutathione peroxidase 4.
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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)
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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)
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Delaforge E, Milles S, Huang JR, Bouvier D, Jensen MR, Sattler M, Hart DJ, Blackledge M (2016)
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Tetko IV, Engkvist O, Chen H (2016)
Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?
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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.
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Vorberg S, Tetko IV (2014)
Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM).
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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.
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Tetko IV, Engkvist O, Koch U, Reymond JL, Chen H (2016)
BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry.
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Rupp M, Körner R, Tetko IV (2010)
Estimation of Acid Dissociation Constants Using Graph Kernels.
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Guo S, Popowicz GM, Li D, Yuan D, Wang Y (2016)
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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.
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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.
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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.
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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
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Enthart A, Klein C, Dehner A, Coles M, Gemmecker G, Kessler H, Hagn F (2016)
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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
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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
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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
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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)
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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.
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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
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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.
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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
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Schlundt A, Niessing D, Heissmeyer V, Sattler M (2016)
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Wiley interdisciplinary reviews. RNA, Issue 4, Vol. 7, 455-69
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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.
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Alderson TR, Bax A (2016)
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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.
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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.
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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)
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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.
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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.
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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
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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.
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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
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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.
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Staphylococcal SplB serine protease utilizes a novel molecular mechanism of activation.
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