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TitleNovel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.
Journal, issue, pagesACS Chem. Biol., Vol. 12, Page 1986-1992, Year 2017
Publish dateMar 22, 2017 (structure data deposition date)
AuthorsEllermann, M. / Eheim, A. / Rahm, F. / Viklund, J. / Guenther, J. / Andersson, M. / Ericsson, U. / Forsblom, R. / Ginman, T. / Lindstrom, J. ...Ellermann, M. / Eheim, A. / Rahm, F. / Viklund, J. / Guenther, J. / Andersson, M. / Ericsson, U. / Forsblom, R. / Ginman, T. / Lindstrom, J. / Silvander, C. / Tresaugues, L. / Giese, A. / Bunse, S. / Neuhaus, R. / Weiske, J. / Quanz, M. / Glasauer, A. / Nowak-Reppel, K. / Bader, B. / Irlbacher, H. / Meyer, H. / Queisser, N. / Bauser, M. / Haegebarth, A. / Gorjanacz, M.
External linksACS Chem. Biol. / PubMed:28679043
MethodsX-ray diffraction
Resolution1.72 Å
Structure data

PDB-5nhy:
BAY-707 in complex with MTH1
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

Chemicals

ChemComp-8XT:
~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / NUDIX / NUCLEOTIDE HYDROLASE / INHIBITOR / ONCOLOGY

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