8CKF

Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand

Summary for 8CKF

Entry DOI	10.2210/pdb8ckf/pdb
Descriptor	Bromodomain-containing protein 4, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, ... (4 entities in total)
Functional Keywords	bromodomain, ligand, epigenetics, reader domain, transcription regulation, gene regulation
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	18153.68
Authors	Thomas, A.M.,McDonough, M.A.,Schiedel, M.,Conway, S.J. (deposition date: 2023-02-15, release date: 2023-08-02, Last modification date: 2023-11-29)
Primary citation	Thomas, A.M.,Serafini, M.,Grant, E.K.,Coombs, E.A.J.,Bluck, J.P.,Schiedel, M.,McDonough, M.A.,Reynolds, J.K.,Lee, B.,Platt, M.,Sharlandjieva, V.,Biggin, P.C.,Duarte, F.,Milne, T.A.,Bush, J.T.,Conway, S.J. Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation. Acs Chem.Biol., 18:2405-2417, 2023 Cited by PubMed: 37874862 DOI: 10.1021/acschembio.3c00437 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.88 Å)

Structure validation