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Structure paper

TitleSelective inhibition of BET bromodomains.
Journal, issue, pagesNature, Vol. 468, Page 1067-1073, Year 2010
Publish dateMay 7, 2010 (structure data deposition date)
AuthorsFilippakopoulos, P. / Qi, J. / Picaud, S. / Shen, Y. / Smith, W.B. / Fedorov, O. / Morse, E.M. / Keates, T. / Hickman, T.T. / Felletar, I. ...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.
External linksNature / PubMed:20871596
MethodsX-ray diffraction
Resolution1.6 - 1.61 Å
Structure data

PDB-3mxf:
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-3oni:
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

Chemicals

ChemComp-JQ1:
(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 / inhibitor*YM

ChemComp-IOD:
IODIDE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-NI:
NICKEL (II) ION

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / Bromodomain-containing protein 4 isoform long / BRD4 / Bromodomain containing protein 4 / CAP / HUNK1 / MCAP / Mitotic chromosome associated protein / JQ1 / betsoff1 / Structural Genomics Consortium / SGC / Structural Genomics / Bromodomain / Inhibition / Probe

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