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 Cited by PubMed: 28892380DOI: 10.1021/acs.jmedchem.7b00796 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.43 Å) |
Structure validation
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