4E96

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor PFi-1

Summary for 4E96

• Entry DOI: 10.2210/pdb4e96/pdb
• Related: 2OSS
• Descriptor: Bromodomain-containing protein 4, 2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide, SODIUM ION, ... (6 entities in total)
• Functional Keywords: bromodomain, cap, hunk1, mcap, mitotic chromosome associated protein, jq1, betsoff1, structural genomics consortium, sgc, cell cycle, protein binding-inhibitor complex, protein binding/inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (By similarity): O60885
• Total number of polymer chains: 1
• Total formula weight: 15609.96

Authors

Filippakopoulos, P.,Picaud, S.,Felletar, I.,Fedorov, O.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Weigelt, J.,Fish, P.,Bunnage, M.,Owen, D.,Knapp, S.,Cook, A.,Structural Genomics Consortium (SGC) (deposition date: 2012-03-20, release date: 2012-04-18, Last modification date: 2023-09-13)

• Primary citation: Fish, P.V.,Filippakopoulos, P.,Bish, G.,Brennan, P.E.,Bunnage, M.E.,Cook, A.S.,Federov, O.,Gerstenberger, B.S.,Jones, H.,Knapp, S.,Marsden, B.,Nocka, K.,Owen, D.R.,Philpott, M.,Picaud, S.,Primiano, M.J.,Ralph, M.J.,Sciammetta, N.,Trzupek, J.D.; Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit.; J.Med.Chem., 55:9831-9837, 2012; PubMed: 23095041; DOI: 10.1021/jm3010515

Experimental method

X-RAY DIFFRACTION (1.92 Å)