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TitleA Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity.
Journal, issue, pagesCell Chem Biol, Vol. 25, Page 1547-1553.e12, Year 2018
Publish dateMar 12, 2018 (structure data deposition date)
AuthorsKirby, I.T. / Kojic, A. / Arnold, M.R. / Thorsell, A.G. / Karlberg, T. / Vermehren-Schmaedick, A. / Sreenivasan, R. / Schultz, C. / Schuler, H. / Cohen, M.S.
External linksCell Chem Biol / PubMed:30344052
MethodsX-ray diffraction
Resolution2.15 - 2.67 Å
Structure data

PDB-6fym:
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK1
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-6fzm:
Human PARP14 (ARTD8), catalytic fragment in complex with inhibitor ITK6
Method: X-RAY DIFFRACTION / Resolution: 2.67 Å

Chemicals

ChemComp-EBB:
7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one

ChemComp-NO3:
NITRATE ION

ChemComp-HOH:
WATER

ChemComp-EE5:
4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / ADP-RIBOSYLATION / INHIBITOR COMPLEX / TRANSFERASE DOMAIN

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