7AXR

Crystal structure of BRD4(1) bound to the dual BET-HDAC inhibitor LSH24

7AXR の概要

• エントリーDOI: 10.2210/pdb7axr/pdb
• 分子名称: Bromodomain-containing protein 4, 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide (3 entities in total)
• 機能のキーワード: brd4(1), brd4, bd1, first bromodomain, bromodomain, bet, hdac, beti, hdaci, dual inhibitor, lsh24, 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: 15814.19

構造登録者

Huegle, M. (登録日: 2020-11-10, 公開日: 2021-10-06, 最終更新日: 2024-01-31)

• 主引用文献: Schaker-Hubner, L.,Warstat, R.,Ahlert, H.,Mishra, P.,Kraft, F.B.,Schliehe-Diecks, J.,Scholer, A.,Borkhardt, A.,Breit, B.,Bhatia, S.,Hugle, M.,Gunther, S.,Hansen, F.K.; 4-Acyl Pyrrole Capped HDAC Inhibitors: A New Scaffold for Hybrid Inhibitors of BET Proteins and Histone Deacetylases as Antileukemia Drug Leads.; J.Med.Chem., 64:14620-14646, 2021; PubMed: 34582215; DOI: 10.1021/acs.jmedchem.1c01119

実験手法

X-RAY DIFFRACTION (1.5 Å)