6UWU

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516

6UWU の概要

• エントリーDOI: 10.2210/pdb6uwu/pdb
• 分子名称: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one, ... (4 entities in total)
• 機能のキーワード: bromodomain, inhibitor, complex, gene regulation, transcription
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15892.29

構造登録者

Leonard, P.G.,Joseph, S. (登録日: 2019-11-05, 公開日: 2020-04-15, 最終更新日: 2023-10-11)

• 主引用文献: Liu, Z.,Chen, H.,Wang, P.,Li, Y.,Wold, E.A.,Leonard, P.G.,Joseph, S.,Brasier, A.R.,Tian, B.,Zhou, J.; Discovery of Orally Bioavailable Chromone Derivatives as Potent and Selective BRD4 Inhibitors: Scaffold Hopping, Optimization, and Pharmacological Evaluation.; J.Med.Chem., 63:5242-5256, 2020; PubMed: 32255647; DOI: 10.1021/acs.jmedchem.0c00035

実験手法

X-RAY DIFFRACTION (2 Å)