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Structure paper

TitleDifferential Binding of Inhibitors to Active and Inactive Cdk2 Provides Insights for Drug Design.
Journal, issue, pagesChem. Biol., Vol. 13, Page 201-, Year 2006
Publish dateOct 30, 2005 (structure data deposition date)
AuthorsKontopidis, G. / Mcinnes, C. / Pandalaneni, S.R. / Mcnae, I. / Gibson, D. / Mezna, M. / Thomas, M. / Wood, G. / Wang, S. / Walkinshaw, M.D. / Fischer, P.M.
External linksChem. Biol. / PubMed:16492568
MethodsX-ray diffraction
Resolution2.1 - 2.9 Å
Structure data

PDB-2c5n:
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2c5o:
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2c5v:
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-2c5x:
Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-2c5y:
DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

Chemicals

ChemComp-CK8:
N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-N',N'-DIMETHYL-BENZENE-1,4-DIAMINE

ChemComp-HOH:
WATER

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

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

ChemComp-MTW:
HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM

Source
  • homo sapiens (human)
  • synthetic construct (others)
KeywordsTRANSFERASE / DIFFERENTIAL INHIBITION / CDK2 / ATP-BINDING / CELL CYCLE / CELL DIVISION / POLYMORPHISM / PHOSPHORYLATION / NUCLEOTIDE-BINDING / SERINE/THREONINE-PROTEIN / KINASE / MITOSIS / CYCLIN / COMPLEX (KINASE-CYCLIN) / CYCIN A / DRUG DESIGN / LIGAND EXCHANGE / SERINE/THREONINE-PROTEIN KINASE / COMPLEX (TRANSFERASE-CYCLIN) / TRANSFERASE/INHIBITOR / INHIBITION / ACTIVE / INACTIVE / COMPLEX (TRANSFERASE-INHIBITOR) / TRANSFERASE-INHIBITOR complex

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