6WVX

Crystal structure of the first bromodomain of human BRD4 with benzodiazepine inhibitor

Summary for 6WVX

• Entry DOI: 10.2210/pdb6wvx/pdb
• Descriptor: Bromodomain-containing protein 4, 6'-(4-chlorophenyl)-1'-methyl-8'-(1-methyl-1H-pyrazol-4-yl)spiro[cyclopropane-1,4'-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine] (3 entities in total)
• Functional Keywords: inhibitor, bromodomain, brd4, benzodiazepine, gene regulation, gene regulation-inhibitor complex, gene regulation/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 31142.64

Authors

Eron, S.J. (deposition date: 2020-05-07, release date: 2021-09-01, Last modification date: 2023-10-18)

• Primary citation: Eron, S.J.,Huang, H.,Agafonov, R.V.,Fitzgerald, M.E.,Patel, J.,Michael, R.E.,Lee, T.D.,Hart, A.A.,Shaulsky, J.,Nasveschuk, C.G.,Phillips, A.J.,Fisher, S.L.,Good, A.; Structural Characterization of Degrader-Induced Ternary Complexes Using Hydrogen-Deuterium Exchange Mass Spectrometry and Computational Modeling: Implications for Structure-Based Design.; Acs Chem.Biol., 16:2228-2243, 2021; PubMed: 34582690; DOI: 10.1021/acschembio.1c00376

Experimental method

X-RAY DIFFRACTION (1.55 Å)