5CQT

Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand

5CQT の概要

• エントリーDOI: 10.2210/pdb5cqt/pdb
• 関連するPDBエントリー: 5COI 5CP5 5CPE 5CRM 5CRZ 5CS8 5CTL
• 分子名称: Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide (3 entities in total)
• 機能のキーワード: brd4, bromodomain, four alpha helices, bromodomain binding inhibitor, signaling protein-inhibitor complex, signaling protein/inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus: O60885
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 17125.78

構造登録者

Zhang, Y.,Song, M.,Liu, Z.,Xue, X.,Xu, Y. (登録日: 2015-07-22, 公開日: 2016-01-13, 最終更新日: 2023-11-08)

• 主引用文献: Xue, X.,Zhang, Y.,Liu, Z.,Song, M.,Xing, Y.,Xiang, Q.,Wang, Z.,Tu, Z.,Zhou, Y.,Ding, K.,Xu, Y.; Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation; J.Med.Chem., 59:1565-1579, 2016; PubMed: 26731490; DOI: 10.1021/acs.jmedchem.5b01511

実験手法

X-RAY DIFFRACTION (1.6 Å)