4E96

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1

4E96 の概要

• エントリーDOI: 10.2210/pdb4e96/pdb
• 関連するPDBエントリー: 2OSS
• 分子名称: Bromodomain-containing protein 4, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, SODIUM ION, ... (6 entities in total)
• 機能のキーワード: bromodomain, cap, hunk1, mcap, mitotic chromosome associated protein, jq1, betsoff1, 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: 15609.96

構造登録者

Filippakopoulos, P.,Picaud, S.,Felletar, I.,Fedorov, O.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Weigelt, J.,Fish, P.,Bunnage, M.,Owen, D.,Knapp, S.,Cook, A.,Structural Genomics Consortium (SGC) (登録日: 2012-03-20, 公開日: 2012-04-18, 最終更新日: 2023-09-13)

• 主引用文献: Fish, P.V.,Filippakopoulos, P.,Bish, G.,Brennan, P.E.,Bunnage, M.E.,Cook, A.S.,Federov, O.,Gerstenberger, B.S.,Jones, H.,Knapp, S.,Marsden, B.,Nocka, K.,Owen, D.R.,Philpott, M.,Picaud, S.,Primiano, M.J.,Ralph, M.J.,Sciammetta, N.,Trzupek, J.D.; Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.; J.Med.Chem., 55:9831-9837, 2012; PubMed: 23095041; DOI: 10.1021/jm3010515

実験手法

X-RAY DIFFRACTION (1.92 Å)