Publications | Structural Genomics Consortium

Identification of lysine isobutyrylation as a new histone modification mark.

Zhu Z, Han Z, Halabelian L, Yang X, Ding J, Zhang N, Ngo L, Song J, Zeng H, He M, Zhao Y, Arrowsmith CH, Luo M, Bartlett MG, Zheng YG

Nucleic Acids Res. doi: 10.1093/nar/gkaa1176

Publication date: December 11, 2020

PMID: 33313896

Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.

Wanior M, Preuss F, Ni X, Krämer A, Mathea S, Göbel T, Heidenreich D, Simonyi S, Kahnt AS, Joerger AC, Knapp S

J Med Chem. 63(23):14680-14699. doi: 10.1021/acs.jmedchem.0c01242

Publication date: December 10, 2020

PMID: 33216538

Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.

Forster M, Liang XJ, Schröder M, Gerstenecker S, Chaikuad A, Knapp S, Laufer S, Gehringer M

Int J Mol Sci. 21(23):. doi: 10.3390/ijms21239269

Publication date: December 4, 2020

PMID: 33291717

Identification and functional characterization of new missense SNPs in the coding region of the TP53 gene.

Doffe F, Carbonnier V, Tissier M, Leroy B, Martins I, Mattsson JSM, Micke P, Pavlova S, Pospisilova S, Smardova J, Joerger AC, Wiman KG, Kroemer G, Soussi T

Cell Death Differ. 28(5):1477-1492. doi: 10.1038/s41418-020-00672-0

Publication date: December 2, 2020

PMID: 33257846

BETs inhibition attenuates oxidative stress and preserves muscle integrity in Duchenne muscular dystrophy.

Segatto M, Szokoll R, Fittipaldi R, Bottino C, Nevi L, Mamchaoui K, Filippakopoulos P, Caretti G

Nat Commun. 11(1):6108. doi: 10.1038/s41467-020-19839-x

Publication date: November 30, 2020

PMID: 33257646

A Single-Stranded DNA-Encoded Chemical Library Based on a Stereoisomeric Scaffold Enables Ligand Discovery by Modular Assembly of Building Blocks.

Bassi G, Favalli N, Vuk M, Catalano M, Martinelli A, Trenner A, Porro A, Yang S, Tham CL, Moroglu M, Yue WW, Conway SJ, Vogt PK, Sartori AA, Scheuermann J, Neri D

Adv Sci (Weinh). 7(22):2001970. doi: 10.1002/advs.202001970

Publication date: November 27, 2020

PMID: 33240760

Fragment Binding to the Nsp3 Macrodomain of SARS-CoV-2 Identified Through Crystallographic Screening and Computational Docking.

Schuller M, Correy GJ, Gahbauer S, Fearon D, Wu T, Díaz RE, Young ID, Martins LC, Smith DH, Schulze-Gahmen U, Owens TW, Deshpande I, Merz GE, Thwin AC, Biel JT, Peters JK, Moritz M, Herrera N, Kratochvil HT, Aimon A, Bennett JM, Neto JB, Cohen AE, Dias A, Douangamath A, Dunnett L, Fedorov O, Ferla MP, Fuchs M, Gorrie-Stone TJ, Holton JM, Johnson MG, Krojer T, Meigs G, Powell AJ, Rack JGM, Rangel VL, Russi S, Skyner RE, Smith CA, Soares AS, Wierman JL, Zhu K, Jura N, Ashworth A, Irwin J, Thompson MC, Gestwicki JE, von Delft F, Shoichet BK, Fraser JS, Ahel I

bioRxiv. doi: 10.1101/2020.11.24.393405

Publication date: November 24, 2020

PMID: 33269349

A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.

Picado A, Chaikuad A, Wells CI, Shrestha S, Zuercher WJ, Pickett JE, Kwarcinski FE, Sinha P, de Silva CS, Zutshi R, Liu S, Kannan N, Knapp S, Drewry DH, Willson TM

J Med Chem. doi: 10.1021/acs.jmedchem.0c01174

Publication date: November 20, 2020

PMID: 33215924

Decreased blood vessel density and endothelial cell subset dynamics during ageing of the endocrine system.

Chen J, Lippo L, Labella R, Tan SL, Marsden BD, Dustin ML, Ramasamy SK, Kusumbe AP

EMBO J. e105242. doi: 10.15252/embj.2020105242

Publication date: November 20, 2020

PMID: 33215738

Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.

Newman JA, Gavard AE, Lieb S, Ravichandran MC, Hauer K, Werni P, Geist L, Böttcher J, Engen JR, Rumpel K, Samwer M, Petronczki M, Gileadi O

Life Sci Alliance. 4(1):. doi: 10.26508/lsa.202000795

Publication date: November 18, 2020

PMID: 33199508

Design, Synthesis, and Characterization of an Orally Active Dual-Specific ULK1/2 Autophagy Inhibitor that Synergizes with the PARP Inhibitor Olaparib for the Treatment of Triple-Negative Breast Cancer.

Ren H, Bakas NA, Vamos M, Chaikuad A, Limpert AS, Wimer CD, Brun SN, Lambert LJ, Tautz L, Celeridad M, Sheffler DJ, Knapp S, Shaw RJ, Cosford NDP

J Med Chem. doi: 10.1021/acs.jmedchem.0c00873

Publication date: November 17, 2020

PMID: 33200929

Epigenetic Mechanisms in Canine Cancer.

Xavier PLP, Müller S, Fukumasu H

Front Oncol. 10:591843. doi: 10.3389/fonc.2020.591843

Publication date: November 17, 2020

PMID: 33194754

A triple farnesoid X receptor and peroxisome proliferator-activated receptor α/δ activator reverses hepatic fibrosis in diet-induced NASH in mice.

Heitel P, Faudone G, Helmstädter M, Schmidt J, Kaiser A, Tjaden A, Schröder M, Müller S, Schierle S, Pollinger J, Merk D

Commun Chem. 3(1):174. doi: 10.1038/s42004-020-00411-z

Publication date: November 13, 2020

PMID: 36703463

Epigenetics 2.0: Special Issue on Epigenetics-Call for Papers.

Conway SJ, Arimondo P, Arrowsmith C, Jin J, Luo C, Meanwell N, Young W, Georg G, Wang S

J Med Chem. 63(21):12129-12130. doi: 10.1021/acs.jmedchem.0c01748

Publication date: November 12, 2020

PMID: 33090784

Comprehensive Set of Tertiary Complex Structures and Palmitic Acid Binding Provide Molecular Insights into Ligand Design for RXR Isoforms.

Chaikuad A, Pollinger J, Rühl M, Ni X, Kilu W, Heering J, Merk D

Int J Mol Sci. 21(22):. doi: 10.3390/ijms21228457

Publication date: November 11, 2020

PMID: 33187070

Discovery of allosteric binding sites by crystallographic fragment screening.

Krojer T, Fraser JS, von Delft F

Curr Opin Struct Biol. 65:209-216. doi: 10.1016/j.sbi.2020.08.004

Publication date: November 11, 2020

PMID: 33171388