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TitleInhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
Journal, issue, pagesChemMedChem, Vol. 12, Page 372-380, Year 2017
Publish dateMay 4, 2016 (structure data deposition date)
AuthorsHazel, P. / Kroll, S.H. / Bondke, A. / Barbazanges, M. / Patel, H. / Fuchter, M.J. / Coombes, R.C. / Ali, S. / Barrett, A.G. / Freemont, P.S.
External linksChemMedChem / PubMed:28125165
MethodsX-ray diffraction
Resolution1.94 Å
Structure data

PDB-5jq5:
Crystal structure of CDK2 in complex with inhibitor ICEC0942
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-5jq8:
Crystal structure of CDK2 in complex with inhibitor ICEC0943
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-I74:
(3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

ChemComp-HOH:
WATER

ChemComp-I73:
(3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / CDK2 / kinase / inhibitor / transferase-transferase inhibitor complex / Kinase inhibitor

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