3MXF

Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1

Summary for 3MXF

• Entry DOI: 10.2210/pdb3mxf/pdb
• Descriptor: Bromodomain-containing protein 4, (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, IODIDE ION, ... (6 entities in total)
• Functional Keywords: bromodomain-containing protein 4 isoform long, brd4, bromodomain containing protein 4, cap, hunk1, mcap, mitotic chromosome associated protein, jq1, betsoff1, structural genomics consortium, sgc, cell cycle
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (By similarity): O60885
• Total number of polymer chains: 1
• Total formula weight: 15948.62

Authors

Filippakopoulos, P.,Picaud, S.,Qi, J.,Keates, T.,Felletar, I.,Fedorov, O.,Muniz, J.,von Delft, F.,Arrowsmith, C.H.,Edwards, A.M.,Weigelt, J.,Bountra, C.,Bradner, J.E.,Knapp, S.,Structural Genomics Consortium (SGC) (deposition date: 2010-05-07, release date: 2010-10-06, Last modification date: 2023-09-06)

• Primary citation: Filippakopoulos, P.,Qi, J.,Picaud, S.,Shen, Y.,Smith, W.B.,Fedorov, O.,Morse, E.M.,Keates, T.,Hickman, T.T.,Felletar, I.,Philpott, M.,Munro, S.,McKeown, M.R.,Wang, Y.,Christie, A.L.,West, N.,Cameron, M.J.,Schwartz, B.,Heightman, T.D.,La Thangue, N.,French, C.A.,Wiest, O.,Kung, A.L.,Knapp, S.,Bradner, J.E.; Selective inhibition of BET bromodomains.; Nature, 468:1067-1073, 2010; PubMed: 20871596; DOI: 10.1038/nature09504

Experimental method

X-RAY DIFFRACTION (1.6 Å)