8K14

X-ray crystal structure of 18a in BRD4(1)

8K14 の概要

• エントリーDOI: 10.2210/pdb8k14/pdb
• 分子名称: Bromodomain-containing protein 4, 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (3 entities in total)
• 機能のキーワード: brd4(1), bromodomain, protein binding
• 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: 17179.81

構造登録者

Xu, H.,Shen, H.,Zhang, Y.,Xu, Y.,Li, R. (登録日: 2023-07-10, 公開日: 2024-03-27)

• 主引用文献: Yu, S.,Zhang, Y.,Yang, J.,Xu, H.,Lan, S.,Zhao, B.,Luo, M.,Ma, X.,Zhang, H.,Wang, S.,Shen, H.,Zhang, Y.,Xu, Y.,Li, R.; Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation.; Eur.J.Med.Chem., 263:115924-115924, 2024; PubMed: 37992518; DOI: 10.1016/j.ejmech.2023.115924

実験手法

X-RAY DIFFRACTION (1.28 Å)