5J0D

Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound

Summary for 5J0D

Entry DOI	10.2210/pdb5j0d/pdb
Descriptor	CREB-binding protein, 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	transcription, histone acetyl transferase activity, structural genomics, structural genomics consortium, sgc
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: Q92793
Total number of polymer chains	1
Total formula weight	14891.14
Authors	Tallant, C.,Popp, T.A.,Fedorov, O.,Siejka, P.,Picaud, S.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Bracher, F.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2016-03-28, release date: 2016-10-05, Last modification date: 2024-01-10)
Primary citation	Popp, T.A.,Tallant, C.,Rogers, C.,Fedorov, O.,Brennan, P.E.,Muller, S.,Knapp, S.,Bracher, F. Development of Selective CBP/P300 Benzoxazepine Bromodomain Inhibitors. J.Med.Chem., 59:8889-8912, 2016 Cited by PubMed: 27673482 DOI: 10.1021/acs.jmedchem.6b00774 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.05 Å)

Structure validation