Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand

Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand Descriptor: 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, Bromodomain-containing protein 4 Authors: Filippakopoulos, P, Picaud, S, Pike, A.C.W, Krojer, T, Conway, S.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Structural Genomics Consortium (SGC) Deposit date: 2018-02-20 Release date: 2018-04-18 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.28 Å) Cite: BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg.Med.Chem., 26, 2018

人类BRD4首个溴结构域（bromodomain）与3,5-二甲基异恶唑配体复合物的晶体结构
配体信息：1,2-乙二醇（1,2-ETHANEDIOL）、3-[(R)-环丙基(羟基)甲基]-5-(3,5-二甲基-1,2-恶唑-4-基)苯酚；含溴结构域蛋白4（Bromodomain-containing protein 4）
作者：Filippakopoulos, P、Picaud, S、Pike, A.C.W、Krojer, T、Conway, S.J、von Delft, F、Arrowsmith, C.H、Edwards, A.M、Bountra, C，结构基因组学联盟（Structural Genomics Consortium, SGC）
提交日期：2018-02-20
发布日期：2018-04-18
最后修改日期：2024-01-17
实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.28 Å
引用文献：BET溴结构域配体：探究WPF口袋以提升BRD4溴结构域亲和力与代谢稳定性。《Bioorg.Med.Chem.》，26卷，2018年