8P9J

Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB500

Summary for 8P9J

Entry DOI	10.2210/pdb8p9j/pdb
Descriptor	Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-5-(6-methyl-7-oxidanylidene-1~{H}-pyrrolo[2,3-c]pyridin-4-yl)pyridine-2-carboxamide, 1,2-ETHANEDIOL, ... (4 entities in total)
Functional Keywords	bromodomain, epigenetic drugs, inhibitor, cancer therapy, gene regulation
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	15893.24
Authors	Balourdas, D.I.,Bauer, N.,Knapp, S.,Joerger, A.C.,Structural Genomics Consortium (SGC) (deposition date: 2023-06-06, release date: 2023-07-05, Last modification date: 2024-06-26)
Primary citation	Bauer, N.,Balourdas, D.I.,Schneider, J.R.,Zhang, X.,Berger, L.M.,Berger, B.T.,Schwalm, M.P.,Klopp, N.A.,Siveke, J.T.,Knapp, S.,Joerger, A.C. Development of Potent Dual BET/HDAC Inhibitors via Pharmacophore Merging and Structure-Guided Optimization. Acs Chem.Biol., 19:266-279, 2024 Cited by PubMed: 38291964 DOI: 10.1021/acschembio.3c00427 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.42 Å)

Structure validation