5TI6

CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841881

5TI6 の概要

• エントリーDOI: 10.2210/pdb5ti6/pdb
• 関連するPDBエントリー: 5TI2 5TI3 5TI4 5TI5 5TI7
• 分子名称: Bromodomain-containing protein 4, 2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: bromodomain, cap, hunk1, mcap, protein binding-inhibitor complex, mitotic chromosome associated protein, cell cycle, inhibitor, transcription-inhibitor complex, transcription/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: 15637.94

構造登録者

Zhu, J.-Y.,Ember, S.W.J.,Schonbrunn, E. (登録日: 2016-10-01, 公開日: 2017-08-09, 最終更新日: 2023-10-04)

• 主引用文献: Allen, B.K.,Mehta, S.,Ember, S.W.J.,Zhu, J.Y.,Schonbrunn, E.,Ayad, N.G.,Schurer, S.C.; Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.; ACS Omega, 2:4760-4771, 2017; PubMed: 28884163; DOI: 10.1021/acsomega.7b00553

実験手法

X-RAY DIFFRACTION (1.704 Å)