4NRA

Crystal Structure of the bromodomain of human BAZ2B in complex with compound-6 E11322

4NRA の概要

• エントリーDOI: 10.2210/pdb4nra/pdb
• 関連するPDBエントリー: 4NR9 4NRB 4NRC
• 分子名称: Bromodomain adjacent to zinc finger domain protein 2B, 1,2-ETHANEDIOL, 1-(8-chloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)ethanone, ... (4 entities in total)
• 機能のキーワード: sgc, structural genomics consortium, transcription, bromodomain, acetylated lysine binding protein, kiaa1476, walp4
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (Potential): Q9UIF8
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14177.70

構造登録者

Chaikuad, A.,Felletar, I.,Ferguson, F.M.,Filippakopoulos, P.,Fedorov, O.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2013-11-26, 公開日: 2013-12-25, 最終更新日: 2023-09-20)

主引用文献

Ferguson, F.M.,Fedorov, O.,Chaikuad, A.,Philpott, M.,Muniz, J.R.,Felletar, I.,von Delft, F.,Heightman, T.,Knapp, S.,Abell, C.,Ciulli, A.
Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56:10183-10187, 2013

PubMed Abstract: Bromodomains are epigenetic reader domains that have recently become popular targets. In contrast to BET bromodomains, which have proven druggable, bromodomains from other regions of the phylogenetic tree have shallower pockets. We describe successful targeting of the challenging BAZ2B bromodomain using biophysical fragment screening and structure-based optimization of high ligand-efficiency fragments into a novel series of low-micromolar inhibitors. Our results provide attractive leads for development of BAZ2B chemical probes and indicate the whole family may be tractable.

PubMed: 24304323
DOI: 10.1021/jm401582c

実験手法

X-RAY DIFFRACTION (1.85 Å)