5UOO

BRD4 bromodomain 2 in complex with CD161

5UOO の概要

• エントリーDOI: 10.2210/pdb5uoo/pdb
• 分子名称: Bromodomain-containing protein 4, 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole (3 entities in total)
• 機能のキーワード: bromodomain, transcription
• 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: 15702.03

構造登録者

Meagher, J.L.,Stuckey, J.A. (登録日: 2017-02-01, 公開日: 2017-05-17, 最終更新日: 2017-11-22)

• 主引用文献: Zhao, Y.,Bai, L.,Liu, L.,McEachern, D.,Stuckey, J.A.,Meagher, J.L.,Yang, C.Y.,Ran, X.,Zhou, B.,Hu, Y.,Li, X.,Wen, B.,Zhao, T.,Li, S.,Sun, D.,Wang, S.; Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.; J. Med. Chem., 60:3887-3901, 2017; PubMed: 28463487; DOI: 10.1021/acs.jmedchem.7b00193

実験手法

X-RAY DIFFRACTION (1.69 Å)