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Structure paper

TitleStructure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 15, Page 863-867, Year 2005
Publish dateDec 14, 2004 (structure data deposition date)
AuthorsWilliamson, D.S. / Parratt, M.J. / Bower, J.F. / Moore, J.D. / Richardson, C.M. / Dokurno, P. / Cansfield, A.D. / Francis, G.L. / Hebdon, R.J. / Howes, R. ...Williamson, D.S. / Parratt, M.J. / Bower, J.F. / Moore, J.D. / Richardson, C.M. / Dokurno, P. / Cansfield, A.D. / Francis, G.L. / Hebdon, R.J. / Howes, R. / Jackson, P.S. / Lockie, A.M. / Murray, J.B. / Nunns, C.L. / Powles, J. / Robertson, A. / Surgenor, A.E. / Torrance, C.J.
External linksBioorg. Med. Chem. Lett. / PubMed:15686876
MethodsX-ray diffraction
Resolution1.996 - 2.15 Å
Structure data

PDB-1y8y:
Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.996 Å

PDB-1y91:
Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-CT7:
(5-CHLOROPYRAZOLO[1,5-A]PYRIMIDIN-7-YL)-(4-METHANESULFONYLPHENYL)AMINE

ChemComp-HOH:
WATER

ChemComp-CT9:
4-[5-(TRANS-4-AMINOCYCLOHEXYLAMINO)-3-ISOPROPYLPYRAZOLO[1,5-A]PYRIMIDIN-7-YLAMINO]-N,N-DIMETHYLBENZENESULFONAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Serine/Threonine protein kinase / CDK2 / ATP-binding / Cell cycle / mitosis / phosphorylation / pyrazolopyrimidine inhibitor

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