8P9J

Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500

8P9J の概要

• エントリーDOI: 10.2210/pdb8p9j/pdb
• 分子名称: Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: bromodomain, epigenetic drugs, inhibitor, cancer therapy, gene regulation
• 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: 15893.24

構造登録者

Balourdas, D.I.,Bauer, N.,Knapp, S.,Joerger, A.C.,Structural Genomics Consortium (SGC) (登録日: 2023-06-06, 公開日: 2023-07-05, 最終更新日: 2024-06-26)

• 主引用文献: Bauer, N.,Balourdas, D.I.,Schneider, J.R.,Zhang, X.,Berger, L.M.,Berger, B.T.,Schwalm, M.P.,Klopp, N.A.,Siveke, J.T.,Knapp, S.,Joerger, A.C.; Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization.; Acs Chem.Biol., 19:266-279, 2024; PubMed: 38291964; DOI: 10.1021/acschembio.3c00427

実験手法

X-RAY DIFFRACTION (1.42 Å)