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

Karim, M.R.,Schonbrunn, E. (登録日: 2021-01-04, 公開日: 2022-01-12, 最終更新日: 2023-10-18)

• 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; PubMed: 35867655; DOI: 10.1021/acs.jmedchem.2c00453

実験手法

X-RAY DIFFRACTION (1.45 Å)