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Structure paper

TitleDiscovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 10013-10025, Year 2017
Publish dateApr 11, 2017 (structure data deposition date)
AuthorsAnumala, U.R. / Waaler, J. / Nkizinkiko, Y. / Ignatev, A. / Lazarow, K. / Lindemann, P. / Olsen, P.A. / Murthy, S. / Obaji, E. / Majouga, A.G. ...Anumala, U.R. / Waaler, J. / Nkizinkiko, Y. / Ignatev, A. / Lazarow, K. / Lindemann, P. / Olsen, P.A. / Murthy, S. / Obaji, E. / Majouga, A.G. / Leonov, S. / von Kries, J.P. / Lehtio, L. / Krauss, S. / Nazare, M.
External linksJ. Med. Chem. / PubMed:29155568
MethodsX-ray diffraction
Resolution1.85 - 2.3 Å
Structure data

PDB-5nob:
Crystal structure of human tankyrase 2 in complex with OD336
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5nsp:
Crystal structure of TNKS2 in complex with OD334
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-92T:
1-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]cyclobutyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-BCT:
BICARBONATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-97E:
1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / TNKS2 / ARTD6 / inhibitor / PARP5b / ADP-ribosyltransferase

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