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Structure paper

TitleAn integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Journal, issue, pagesChem. Biol., Vol. 19, Page 1028-1040, Year 2012
Publish dateApr 14, 2012 (structure data deposition date)
AuthorsEchalier, A. / Cot, E. / Camasses, A. / Hodimont, E. / Hoh, F. / Jay, P. / Sheinerman, F. / Krasinska, L. / Fisher, D.
External linksChem. Biol. / PubMed:22921070
MethodsX-ray diffraction
Resolution1.65 - 2.57 Å
Structure data

PDB-4eoi:
Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-4eoj:
Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with ATP
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-4eok:
Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor NU6102
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

PDB-4eol:
Thr 160 phosphorylated CDK2 H84S, Q85M, K89D - human cyclin A3 complex with the inhibitor RO3306
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4eom:
Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4eon:
Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with the inhibitor RO3306
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-4eoo:
Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-4eop:
Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-4eoq:
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with ATP
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-4eor:
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor NU6102
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4eos:
Thr 160 phosphorylated CDK2 WT - human cyclin A3 complex with the inhibitor RO3306
Method: X-RAY DIFFRACTION / Resolution: 2.57 Å

Chemicals

ChemComp-1RO:
(5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide

ChemComp-SGM:
MONOTHIOGLYCEROL / 3-Mercaptopropane-1,2-diol

ChemComp-HOH:
WATER / Water

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM / Adenosine triphosphate

ChemComp-MG:
Unknown entry

ChemComp-4SP:
O6-CYCLOHEXYLMETHOXY-2-(4'-SULPHAMOYLANILINO) PURINE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / protein kinase / cell cycle / phosphorylation / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE / COMPLEX

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