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TitleDiscovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop.
Journal, issue, pagesStructure, Vol. 11, Page 399-410, Year 2003
Publish dateJun 30, 2003 (structure data deposition date)
AuthorsWu, S.Y. / McNae, I. / Kontopidis, G. / McClue, S.J. / McInnes, C. / Stewart, K.J. / Wang, S. / Zheleva, D.I. / Marriage, H. / Lane, D.P. ...Wu, S.Y. / McNae, I. / Kontopidis, G. / McClue, S.J. / McInnes, C. / Stewart, K.J. / Wang, S. / Zheleva, D.I. / Marriage, H. / Lane, D.P. / Taylor, P. / Fischer, P.M. / Walkinshaw, M.D.
External linksStructure / PubMed:12679018
MethodsX-ray diffraction
Resolution1.95 - 2.8 Å
Structure data

PDB-1pw2:
APO STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE 2
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-1pxi:
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,5-Dichloro-thiophen-3-yl)-pyrimidin-2-ylamine
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-1pxj:
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-ylamine
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-1pxk:
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-1pxl:
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2,4-Dimethyl-thiazol-5-yl)-pyrimidin-2-yl]-(4-trifluoromethyl-phenyl)-amine
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-HOH:
WATER

ChemComp-CK1:
4-(2,5-DICHLOROTHIEN-3-YL)PYRIMIDIN-2-AMINE

ChemComp-CK2:
4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-AMINE

ChemComp-CK3:
N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE

ChemComp-CK4:
4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PROTEIN KINASE / CELL CYCLE / PHOSPHORYLATION / CELL DIVISION / MITOSIS / INHIBITION / SERINE/THREONINE-PROTEIN KINASE / ATP-BINDING / 3D-STRUCTURE.

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