4XUB

Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe

4XUB の概要

• エントリーDOI: 10.2210/pdb4xub/pdb
• 関連するPDBエントリー: 4XUA
• 分子名称: Bromodomain adjacent to zinc finger domain protein 2B, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, 1,2-ETHANEDIOL, ... (4 entities in total)
• 機能のキーワード: transcription, bromodomain, acetylated lysine binding protein, kiaa1476, walp4, sgc, structural genomics consortium
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : Q9UIF8
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14163.26

構造登録者

Chaikuad, A.,Felletar, I.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2015-01-25, 公開日: 2015-03-11, 最終更新日: 2024-01-10)

主引用文献

Drouin, L.,McGrath, S.,Vidler, L.R.,Chaikuad, A.,Monteiro, O.,Tallant, C.,Philpott, M.,Rogers, C.,Fedorov, O.,Liu, M.,Akhtar, W.,Hayes, A.,Raynaud, F.,Muller, S.,Knapp, S.,Hoelder, S.
Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B.
J.Med.Chem., 58:2553-2559, 2015

PubMed Abstract: The bromodomain containing proteins BAZ2A/B play essential roles in chromatin remodeling and regulation of noncoding RNAs. We present the structure based discovery of a potent, selective, and cell active inhibitor 13 (BAZ2-ICR) of the BAZ2A/B bromodomains through rapid optimization of a weakly potent starting point. A key feature of the presented inhibitors is an intramolecular aromatic stacking interaction that efficiently occupies the shallow bromodomain pockets. 13 represents an excellent chemical probe for functional studies of the BAZ2 bromodomains in vitro and in vivo.

PubMed: 25719566
DOI: 10.1021/jm501963e

実験手法

X-RAY DIFFRACTION (1.98 Å)