7MR5

Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-052

7MR5 の概要

• エントリーDOI: 10.2210/pdb7mr5/pdb
• 分子名称: Bromodomain-containing protein 4, N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: bromosporine, brd4, brd, bet, gene regulation
• 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: 31689.28

構造登録者

Chan, A.,Schonbrunn, E. (登録日: 2021-05-07, 公開日: 2022-05-18, 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 (1.82 Å)