4J0R

Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand

Summary for 4J0R

• Entry DOI: 10.2210/pdb4j0r/pdb
• Related: 4J0S
• Descriptor: Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol, ... (5 entities in total)
• Functional Keywords: brd4, bromodomain containing protein 4, cap, hunk1, mcap, mitotic chromosome associated protein, isoxazole, structural genomics consortium, sgc, signaling protein
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (By similarity): O60885
• Total number of polymer chains: 1
• Total formula weight: 15769.89

Authors

Filippakopoulos, P.,Picaud, S.,Qi, J.,Felletar, I.,Hewings, D.S.,von Delft, F.,Conway, S.J.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2013-01-31, release date: 2013-02-13, Last modification date: 2023-09-20)

• Primary citation: Hewings, D.S.,Fedorov, O.,Filippakopoulos, P.,Martin, S.,Picaud, S.,Tumber, A.,Wells, C.,Olcina, M.M.,Freeman, K.,Gill, A.,Ritchie, A.J.,Sheppard, D.W.,Russell, A.J.,Hammond, E.M.,Knapp, S.,Brennan, P.E.,Conway, S.J.; Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.; J.Med.Chem., 56:3217-3227, 2013; PubMed: 23517011; DOI: 10.1021/jm301588r

Experimental method

X-RAY DIFFRACTION (1.72 Å)