8P9F
Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161
Summary for 8P9F
Entry DOI | 10.2210/pdb8p9f/pdb |
Descriptor | Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide, 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 | 15773.13 |
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: 38291964DOI: 10.1021/acschembio.3c00427 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.3 Å) |
Structure validation
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