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TitleFirst-in-Class Chemical Probes against Poly(ADP-ribose) Glycohydrolase (PARG) Inhibit DNA Repair with Differential Pharmacology to Olaparib.
Journal, issue, pagesACS Chem. Biol., Vol. 11, Page 3179-3190, Year 2016
Publish dateJul 10, 2016 (structure data deposition date)
AuthorsJames, D.I. / Smith, K.M. / Jordan, A.M. / Fairweather, E.E. / Griffiths, L.A. / Hamilton, N.S. / Hitchin, J.R. / Hutton, C.P. / Jones, S. / Kelly, P. ...James, D.I. / Smith, K.M. / Jordan, A.M. / Fairweather, E.E. / Griffiths, L.A. / Hamilton, N.S. / Hitchin, J.R. / Hutton, C.P. / Jones, S. / Kelly, P. / McGonagle, A.E. / Small, H. / Stowell, A.I. / Tucker, J. / Waddell, I.D. / Waszkowycz, B. / Ogilvie, D.J.
External linksACS Chem. Biol. / PubMed:27689388
MethodsX-ray diffraction
Resolution2.23 Å
Structure data

PDB-5lhb:
POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017262
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

Chemicals

ChemComp-6WJ:
1-(cyclopropylmethyl)-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazoline-2,4-dione

ChemComp-SO4:
SULFATE ION

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

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / COMPETITIVE INHIBITOR

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