8WYG

Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22

8WYG の概要

• エントリーDOI: 10.2210/pdb8wyg/pdb
• 分子名称: Bromodomain-containing protein 2, 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide (3 entities in total)
• 機能のキーワード: brd2(2), bromodomain, protein binding
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 66131.47

構造登録者

Xu, H.,Zhao, X.,Shen, H.,Xu, Y.,Wu, X. (登録日: 2023-10-30, 公開日: 2024-01-24, 最終更新日: 2024-02-07)

• 主引用文献: Jiang, W.,Hou, Q.,Xu, H.,Yang, K.,Wang, X.,Zhang, K.,Zeng, Y.,Li, W.,Wang, B.,Luo, G.,Zhao, X.,Shen, H.,Xu, Y.,Wu, X.; Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia.; J.Med.Chem., 67:1513-1532, 2024; PubMed: 38175809; DOI: 10.1021/acs.jmedchem.3c02104

実験手法

X-RAY DIFFRACTION (3.13 Å)