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TitleStructural basis for the inhibition of poly(ADP-ribose) polymerases 1 and 2 by BMN 673, a potent inhibitor derived from dihydropyridophthalazinone.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 70, Page 1143-1149, Year 2014
Publish dateMay 12, 2014 (structure data deposition date)
AuthorsAoyagi-Scharber, M. / Gardberg, A.S. / Yip, B.K. / Wang, B. / Shen, Y. / Fitzpatrick, P.A.
External linksActa Crystallogr. ,Sect. F / PubMed:25195882
MethodsX-ray diffraction
Resolution2.35 - 2.5 Å
Structure data

PDB-4pjt:
Structure of PARP1 catalytic domain bound to inhibitor BMN 673
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4pjv:
Structure of PARP2 catalytic domain bound to inhibitor BMN 673
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-2YQ:
(8S,9R)-5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1H-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3H-pyrido[4,3,2-de]phthalazin-3-one / medication, anticancer, inhibitor*YM

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / PARP1 / Inhibitor / Complex / TRANSFERASE-TRANSFERASE INHIBITOR complex / PARP2

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