5I83

Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986

Summary for 5I83

• Entry DOI: 10.2210/pdb5i83/pdb
• Related: 5I86 5I89
• Descriptor: CREB-binding protein, THIOCYANATE ION, (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, ... (4 entities in total)
• Functional Keywords: bromodomain inhibitor, protein binding-inhibitor complex, protein binding/inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q92793
• Total number of polymer chains: 1
• Total formula weight: 14346.46

Authors

Jayaram, H.,Poy, F.,Setser, J.W.,Bellon, S.F. (deposition date: 2016-02-18, release date: 2016-04-20, Last modification date: 2023-09-27)

• 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 (1.35 Å)