7MLQ

X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26)

7MLQ の概要

• エントリーDOI: 10.2210/pdb7mlq/pdb
• 分子名称: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, ... (5 entities in total)
• 機能のキーワード: brd4, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor
• 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: 15796.67

構造登録者

Cui, H.,Johnson, J.A.,Vail, N.R.,Shi, K.,Aihara, H.,Pomerantz, W.C.K. (登録日: 2021-04-28, 公開日: 2021-07-28, 最終更新日: 2023-10-18)

• 主引用文献: Cui, H.,Carlson, A.S.,Schleiff, M.A.,Divakaran, A.,Johnson, J.A.,Buchholz, C.R.,Zahid, H.,Vail, N.R.,Shi, K.,Aihara, H.,Harki, D.A.,Miller, G.P.,Topczewski, J.J.,Pomerantz, W.C.K.; 4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.; J.Med.Chem., 64:10497-10511, 2021; PubMed: 34236185; DOI: 10.1021/acs.jmedchem.1c00933

実験手法

X-RAY DIFFRACTION (1.32 Å)