5I8G

CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one)

Summary for 5I8G

• Entry DOI: 10.2210/pdb5i8g/pdb
• Descriptor: CREB-binding protein, ZINC ION, (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ... (8 entities in total)
• Functional Keywords: crebbp, bromodomain, epigenetics, structure-based drug design, transcription-protein binding complex, transcription/protein binding
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q92793
• Total number of polymer chains: 1
• Total formula weight: 32629.97

Authors

Murray, J.M. (deposition date: 2016-02-18, release date: 2016-04-20, Last modification date: 2024-03-06)

• Primary citation: Taylor, A.M.,Cote, A.,Hewitt, M.C.,Pastor, R.,Leblanc, Y.,Nasveschuk, C.G.,Romero, F.A.,Crawford, T.D.,Cantone, N.,Jayaram, H.,Setser, J.,Murray, J.,Beresini, M.H.,de Leon Boenig, G.,Chen, Z.,Conery, A.R.,Cummings, R.T.,Dakin, L.A.,Flynn, E.M.,Huang, O.W.,Kaufman, S.,Keller, P.J.,Kiefer, J.R.,Lai, T.,Li, Y.,Liao, J.,Liu, W.,Lu, H.,Pardo, E.,Tsui, V.,Wang, J.,Wang, Y.,Xu, Z.,Yan, F.,Yu, D.,Zawadzke, L.,Zhu, X.,Zhu, X.,Sims, R.J.,Cochran, A.G.,Bellon, S.,Audia, J.E.,Magnuson, S.,Albrecht, B.K.; Fragment-Based Discovery of a Selective and Cell-Active Benzodiazepinone CBP/EP300 Bromodomain Inhibitor (CPI-637).; Acs Med.Chem.Lett., 7:531-536, 2016; PubMed: 27190605; DOI: 10.1021/acsmedchemlett.6b00075

Experimental method

X-RAY DIFFRACTION (1.41 Å)