6YQN

Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9

Summary for 6YQN

• Entry DOI: 10.2210/pdb6yqn/pdb
• Descriptor: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide, ... (4 entities in total)
• Functional Keywords: bromodomain, brd4(bd1), dual bromodomain hdac inhibitor, structural genomics consortium, sgc, gene regulation
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 15833.64

Authors

Joerger, A.C.,Balourdas, D.I.,Weiser, T.,Chatterjee, D.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2020-04-17, release date: 2020-05-06, Last modification date: 2024-01-24)

• Primary citation: Zhang, X.,Zegar, T.,Weiser, T.,Hamdan, F.H.,Berger, B.T.,Lucas, R.,Balourdas, D.I.,Ladigan, S.,Cheung, P.F.,Liffers, S.T.,Trajkovic-Arsic, M.,Scheffler, B.,Joerger, A.C.,Hahn, S.A.,Johnsen, S.A.,Knapp, S.,Siveke, J.T.; Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma.; Int.J.Cancer, 147:2847-2861, 2020; PubMed: 32599645; DOI: 10.1002/ijc.33137

Experimental method

X-RAY DIFFRACTION (1.05 Å)