6Q3Y

Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i

6Q3Y の概要

• エントリーDOI: 10.2210/pdb6q3y/pdb
• 分子名称: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one, ... (4 entities in total)
• 機能のキーワード: brd4(bd1), inhibitor, complex, structural genomics, structural genomics consortium, sgc, gene regulation
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 31724.63

構造登録者

Heidenreich, D.,Watts, E.,Arrowsmith, C.H.,Bountra, C.,Edwards, A.M.,Knapp, S.,Hoelder, S.,Structural Genomics Consortium (SGC) (登録日: 2018-12-04, 公開日: 2019-03-06, 最終更新日: 2024-01-24)

• 主引用文献: Watts, E.,Heidenreich, D.,Tucker, E.,Raab, M.,Strebhardt, K.,Chesler, L.,Knapp, S.,Bellenie, B.,Hoelder, S.; Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity.; J.Med.Chem., 62:2618-2637, 2019; PubMed: 30789735; DOI: 10.1021/acs.jmedchem.8b01947

実験手法

X-RAY DIFFRACTION (1.2 Å)