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Structure paper

TitleY08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 9, Page 262-267, Year 2018
Publish dateDec 28, 2017 (structure data deposition date)
AuthorsXiang, Q. / Zhang, Y. / Li, J. / Xue, X. / Wang, C. / Song, M. / Zhang, C. / Wang, R. / Li, C. / Wu, C. ...Xiang, Q. / Zhang, Y. / Li, J. / Xue, X. / Wang, C. / Song, M. / Zhang, C. / Wang, R. / Li, C. / Wu, C. / Zhou, Y. / Yang, X. / Li, G. / Ding, K. / Xu, Y.
External linksAcs Med. Chem. Lett. / PubMed:29541371
MethodsX-ray diffraction
Resolution1.42 - 1.62 Å
Structure data

PDB-5z1r:
Crystal Structure Analysis of the BRD4
Method: X-RAY DIFFRACTION / Resolution: 1.62 Å

PDB-5z1s:
Crystal Structure Analysis of the BRD4(1)
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-5z1t:
Crystal Structure Analysis of the BRD4(1)
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

ChemComp-EFL:
5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-NO3:
NITRATE ION

ChemComp-HOH:
WATER

ChemComp-EFM:
5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide

ChemComp-EFN:
5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / BRD4(1) / Bromodomain

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