5W0F

CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)

5W0F の概要

• エントリーDOI: 10.2210/pdb5w0f/pdb
• 関連するPDBエントリー: 5W0E
• 分子名称: CREB-binding protein, 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one (3 entities in total)
• 機能のキーワード: crebbp, bromodomain, small molecule inhibitor, transferase-inhibitor complex, transcription regulator-inhibitor complex, transcription regulator/inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: Q92793
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 18076.52

構造登録者

Murray, J.M. (登録日: 2017-05-30, 公開日: 2018-03-07, 最終更新日: 2023-10-04)

• 主引用文献: Romero, F.A.,Murray, J.,Lai, K.W.,Tsui, V.,Albrecht, B.K.,An, L.,Beresini, M.H.,de Leon Boenig, G.,Bronner, S.M.,Chan, E.W.,Chen, K.X.,Chen, Z.,Choo, E.F.,Clagg, K.,Clark, K.,Crawford, T.D.,Cyr, P.,de Almeida Nagata, D.,Gascoigne, K.E.,Grogan, J.L.,Hatzivassiliou, G.,Huang, W.,Hunsaker, T.L.,Kaufman, S.,Koenig, S.G.,Li, R.,Li, Y.,Liang, X.,Liao, J.,Liu, W.,Ly, J.,Maher, J.,Masui, C.,Merchant, M.,Ran, Y.,Taylor, A.M.,Wai, J.,Wang, F.,Wei, X.,Yu, D.,Zhu, B.Y.,Zhu, X.,Magnuson, S.; GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).; J. Med. Chem., 60:9162-9183, 2017; PubMed: 28892380; DOI: 10.1021/acs.jmedchem.7b00796

実験手法

X-RAY DIFFRACTION (1.6 Å)