5W0I

CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-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)

Summary for 5W0I

• Entry DOI: 10.2210/pdb5w0i/pdb
• Descriptor: CREB-binding protein, 1-{3-[7-(difluoromethyl)-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, DIMETHYL SULFOXIDE, ... (5 entities in total)
• Functional Keywords: crebbp, bromodomain, small molecule inhibitor, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Mus musculus (Mouse)
• Cellular location: Cytoplasm : P45481
• Total number of polymer chains: 1
• Total formula weight: 18374.89

Authors

Murray, J.M. (deposition date: 2017-05-30, release date: 2018-03-07, Last modification date: 2023-10-04)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.43 Å)