4Z1S

Crystal structure of the first bromodomain of human BRD4 with benzotriazolo-diazepine scaffold

4Z1S の概要

• エントリーDOI: 10.2210/pdb4z1s/pdb
• 分子名称: Bromodomain-containing protein 4, 5-[(4S)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-8-yl]pyridin-2-amine (3 entities in total)
• 機能のキーワード: bromodomain, signaling protein
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus: O60885
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 30570.03

構造登録者

Setser, J.W.,Poy, F.,Tang, Y.,Bellon, S.F. (登録日: 2015-03-27, 公開日: 2015-04-08, 最終更新日: 2024-03-06)

• 主引用文献: Taylor, A.M.,Vaswani, R.G.,Gehling, V.S.,Hewitt, M.C.,Leblanc, Y.,Audia, J.E.,Bellon, S.,Cummings, R.T.,Cote, A.,Harmange, J.C.,Jayaram, H.,Joshi, S.,Lora, J.M.,Mertz, J.A.,Neiss, A.,Pardo, E.,Nasveschuk, C.G.,Poy, F.,Sandy, P.,Setser, J.W.,Sims, R.J.,Tang, Y.,Albrecht, B.K.; Discovery of Benzotriazolo[4,3-d][1,4]diazepines as Orally Active Inhibitors of BET Bromodomains.; Acs Med.Chem.Lett., 7:145-150, 2016; PubMed: 26985289; DOI: 10.1021/ml500411h

実験手法

X-RAY DIFFRACTION (1.06 Å)