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Structure paper

TitleStereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Journal, issue, pagesNature, Vol. 508, Page 222-, Year 2014
Publish dateOct 3, 2013 (structure data deposition date)
AuthorsHuber, K.V.M. / Salah, E. / Radic, B. / Gridling, M. / Elkins, J.M. / Stukalov, A. / Jemth, A. / Gokturk, C. / Sanjiv, K. / Stromberg, K. ...Huber, K.V.M. / Salah, E. / Radic, B. / Gridling, M. / Elkins, J.M. / Stukalov, A. / Jemth, A. / Gokturk, C. / Sanjiv, K. / Stromberg, K. / Pham, T. / Berglund, U.W. / Colinge, J. / Bennett, K.L. / Loizou, J.I. / Helleday, T. / Knapp, S. / Superti-Furga, G.
External linksNature / PubMed:24695225
MethodsX-ray diffraction
Resolution1.2 - 1.65 Å
Structure data

PDB-4c9w:
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4c9x:
Crystal structure of NUDT1 (MTH1) with S-crizotinib
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-VGH:
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine / medication, anticancer*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-VHS:
3-[(1S)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-(1-PIPERIDIN-4-YLPYRAZOL-4-YL)PYRIDIN-2-AMINE

Source
  • homo sapiens (human)
KeywordsHYDROLASE / CRIZOTINIB

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