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Structure paper

TitleDiscovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 4501-4505, Year 2013
Publish dateJun 12, 2013 (structure data deposition date)
AuthorsGangloff, A.R. / Brown, J. / de Jong, R. / Dougan, D.R. / Grimshaw, C.E. / Hixon, M. / Jennings, A. / Kamran, R. / Kiryanov, A. / O'Connell, S. ...Gangloff, A.R. / Brown, J. / de Jong, R. / Dougan, D.R. / Grimshaw, C.E. / Hixon, M. / Jennings, A. / Kamran, R. / Kiryanov, A. / O'Connell, S. / Taylor, E. / Vu, P.
External linksBioorg. Med. Chem. Lett. / PubMed:23850199
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-4l6s:
PARP complexed with benzo[1,4]oxazin-3-one inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-1WQ:
(2S)-6-{[4-(4-chlorophenyl)-3,6-dihydropyridin-1(2H)-yl]methyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / DNA single-strand break repair sensitize tumors / DNA repair enzyme / DRD / transferase-transferase inhibitor complex

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