4GPJ

Crystal Structure of the first bromodomain of human BRD4 in complex with a isoxazolylbenzimidazole ligand

Summary for 4GPJ

Entry DOI	10.2210/pdb4gpj/pdb
Descriptor	Bromodomain-containing protein 4, (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywords	bromodomain, cap, hunk1, mcap, mitotic chromosome associated protein, structural genomics consortium, sgc, cell cycle, protein binding-inhibitor complex, protein binding/inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus (By similarity): O60885
Total number of polymer chains	1
Total formula weight	15551.88
Authors	Filippakopoulos, P.,Picaud, S.,Qi, J.,Felletar, I.,Heightman, T.D.,Brennan, P.,von Delft, F.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2012-08-21, release date: 2012-10-17, Last modification date: 2023-09-13)
Primary citation	Hay, D.,Fedorov, O.,Filippakopoulos, P.,Martin, S.,Philpott, M.,Picaud, S.,Hewings, D.S.,Uttakar, S.,Heightman, T.D.,Conway, S.J.,Knapp, S.,Brennan, P.E. The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET bromodomains. Medchemcomm, 4:140-144, 2013 Cited by PubMed: 26682033 DOI: 10.1039/C2MD20189E PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.6 Å)

Structure validation