6FT3

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

Summary for 6FT3

Entry DOI	10.2210/pdb6ft3/pdb
Descriptor	Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 3-[(~{R})-cyclopropyl(oxidanyl)methyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)phenol, ... (4 entities in total)
Functional Keywords	bromodomain, ligand, transcription, isoxazole, structural genomics, structural genomics consortium, sgc
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	15420.75
Authors	Filippakopoulos, P.,Picaud, S.,Pike, A.C.W.,Krojer, T.,Conway, S.J.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Bountra, C.,Structural Genomics Consortium (SGC) (deposition date: 2018-02-20, release date: 2018-04-18, Last modification date: 2024-01-17)
Primary citation	Jennings, L.E.,Schiedel, M.,Hewings, D.S.,Picaud, S.,Laurin, C.M.C.,Bruno, P.A.,Bluck, J.P.,Scorah, A.R.,See, L.,Reynolds, J.K.,Moroglu, M.,Mistry, I.N.,Hicks, A.,Guzanov, P.,Clayton, J.,Evans, C.N.G.,Stazi, G.,Biggin, P.C.,Mapp, A.K.,Hammond, E.M.,Humphreys, P.G.,Filippakopoulos, P.,Conway, S.J. BET bromodomain ligands: Probing the WPF shelf to improve BRD4 bromodomain affinity and metabolic stability. Bioorg.Med.Chem., 26:2937-2957, 2018 Cited by PubMed: 29776834 DOI: 10.1016/j.bmc.2018.05.003 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.28 Å)

Structure validation