4GPJ

Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand

4GPJ の概要

• エントリーDOI: 10.2210/pdb4gpj/pdb
• 分子名称: Bromodomain-containing protein 4, (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, ... (5 entities in total)
• 機能のキーワード: bromodomain, cap, hunk1, mcap, mitotic chromosome associated protein, structural genomics consortium, sgc, cell cycle, protein binding-inhibitor complex, protein binding/inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (By similarity): O60885
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 15551.88

構造登録者

Filippakopoulos, P.,Picaud, S.,Qi, J.,Felletar, I.,Heightman, T.D.,Brennan, P.,von Delft, F.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2012-08-21, 公開日: 2012-10-17, 最終更新日: 2023-09-13)

主引用文献

Hay, D.,Fedorov, O.,Filippakopoulos, P.,Martin, S.,Philpott, M.,Picaud, S.,Hewings, D.S.,Uttakar, S.,Heightman, T.D.,Conway, S.J.,Knapp, S.,Brennan, P.E.
The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains.
Medchemcomm, 4:140-144, 2013

PubMed Abstract: Simple 1-substituted 5- and 6-isoxazolyl-benzimidazoles have been shown to be potent inhibitors of the BET bromodomains with selectivity over the related bromodomain of CBP. The reported inhibitors were prepared from simple starting materials in two steps followed by separation of the regioisomers or regioselectively in three steps.

PubMed: 26682033
DOI: 10.1039/C2MD20189E

実験手法

X-RAY DIFFRACTION (1.6 Å)