6MOA

C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor

6MOA の概要

• エントリーDOI: 10.2210/pdb6moa/pdb
• 分子名称: Bromodomain-containing protein 2, 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: inhibitor, epigenetic reader, bromodomain, transcription-transcription inhibitor complex, transcription/transcription inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 13457.47

構造登録者

Lansdon, E.B.,Newby, Z.E.R. (登録日: 2018-10-04, 公開日: 2019-01-23, 最終更新日: 2024-03-13)

• 主引用文献: Sperandio, D.,Aktoudianakis, V.,Babaoglu, K.,Chen, X.,Elbel, K.,Chin, G.,Corkey, B.,Du, J.,Jiang, B.,Kobayashi, T.,Mackman, R.,Martinez, R.,Yang, H.,Zablocki, J.,Kusam, S.,Jordan, K.,Webb, H.,Bates, J.G.,Lad, L.,Mish, M.,Niedziela-Majka, A.,Metobo, S.,Sapre, A.,Hung, M.,Jin, D.,Fung, W.,Kan, E.,Eisenberg, G.,Larson, N.,Newby, Z.E.R.,Lansdon, E.,Tay, C.,Neve, R.M.,Shevick, S.L.,Breckenridge, D.G.; Structure-guided discovery of a novel, potent, and orally bioavailable 3,5-dimethylisoxazole aryl-benzimidazole BET bromodomain inhibitor.; Bioorg. Med. Chem., 27:457-469, 2019; PubMed: 30606676; DOI: 10.1016/j.bmc.2018.11.020

実験手法

X-RAY DIFFRACTION (1.271 Å)