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TitleIn Vitro and Cellular Probes to Study PARP Enzyme Target Engagement.
Journal, issue, pagesCell Chem Biol, Vol. 27, Page 877-887.e14, Year 2020
Publish dateMar 16, 2020 (structure data deposition date)
AuthorsWigle, T.J. / Blackwell, D.J. / Schenkel, L.B. / Ren, Y. / Church, W.D. / Desai, H.J. / Swinger, K.K. / Santospago, A.G. / Majer, C.R. / Lu, A.Z. ...Wigle, T.J. / Blackwell, D.J. / Schenkel, L.B. / Ren, Y. / Church, W.D. / Desai, H.J. / Swinger, K.K. / Santospago, A.G. / Majer, C.R. / Lu, A.Z. / Niepel, M. / Perl, N.R. / Vasbinder, M.M. / Keilhack, H. / Kuntz, K.W.
External linksCell Chem Biol / PubMed:32679093
MethodsX-ray diffraction
Resolution2.13 Å
Structure data

PDB-6w65:
Human PARP16 in complex with RBN010860
Method: X-RAY DIFFRACTION / Resolution: 2.13 Å

Chemicals

ChemComp-T9D:
5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one

ChemComp-CIT:
CITRIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ADP-RIBOSE / PARP16 / ARTD15 / ARTD Transferase domain / ADP-ribosylation / TRANSFERASE-TRANSFERASE INHIBITOR complex

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