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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |