7WJS

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157

7WJS の概要

• エントリーDOI: 10.2210/pdb7wjs/pdb
• 分子名称: Bromodomain-containing protein 4, 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: brd4, bromodomain, inhibitor, protein binding
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 52755.66

構造登録者

Li, J.,Zhang, C.,Xu, H.,Zhuang, X.,Wu, X.,Zhang, Y.,Xu, Y. (登録日: 2022-01-07, 公開日: 2022-08-10, 最終更新日: 2023-11-29)

• 主引用文献: Li, J.,Zhang, C.,Xu, H.,Wang, C.,Dong, R.,Shen, H.,Zhuang, X.,Chen, X.,Li, Q.,Lu, J.,Zhang, M.,Wu, X.,Loomes, K.M.,Zhou, Y.,Zhang, Y.,Liu, J.,Xu, Y.; Structure-Based Discovery and Optimization of Furo[3,2- c ]pyridin-4(5 H )-one Derivatives as Potent and Second Bromodomain (BD2)-Selective Bromo and Extra Terminal Domain (BET) Inhibitors.; J.Med.Chem., 65:5760-5799, 2022; PubMed: 35333526; DOI: 10.1021/acs.jmedchem.2c00100

実験手法

X-RAY DIFFRACTION (2.73 Å)