7L9M
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent inhibitor GXH-II-083
Summary for 7L9M
Entry DOI | 10.2210/pdb7l9m/pdb |
Descriptor | Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N,N'-[(1,19-dioxo-4,7,10,13,16-pentaoxanonadecane-1,19-diyl)di(piperidine-1,4-diyl)]bis(4-{[4-({3-[(tert-butylsulfonyl)amino]-4-chlorophenyl}amino)-5-methylpyrimidin-2-yl]amino}-2-fluorobenzamide), ... (4 entities in total) |
Functional Keywords | bet, erk5, dual brd-kinase inhibitor, gene regulation, transcription-transcription inhibitor complex, transcription/transcription inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 31929.58 |
Authors | Karim, M.R.,Schonbrunn, E. (deposition date: 2021-01-04, release date: 2022-01-12, Last modification date: 2023-10-18) |
Primary citation | Guan, X.,Cheryala, N.,Karim, R.M.,Chan, A.,Berndt, N.,Qi, J.,Georg, G.I.,Schonbrunn, E. Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity. J.Med.Chem., 65:10441-10458, 2022 Cited by PubMed: 35867655DOI: 10.1021/acs.jmedchem.2c00453 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.45 Å) |
Structure validation
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