7L9M
Crystal structure of the first bromodomain (BD1) of human BRD4 in complex with bivalent inhibitor GXH-II-083
7L9M の概要
エントリーDOI | 10.2210/pdb7l9m/pdb |
分子名称 | 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) |
機能のキーワード | bet, erk5, dual brd-kinase inhibitor, gene regulation, transcription-transcription inhibitor complex, transcription/transcription inhibitor |
由来する生物種 | Homo sapiens (Human) |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 31929.58 |
構造登録者 | |
主引用文献 | 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 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.45 Å) |
構造検証レポート
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