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Structure paper

TitleRational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 20, Page 1985-1989, Year 2010
Publish dateJan 7, 2010 (structure data deposition date)
AuthorsLesuisse, D. / Dutruc-Rosset, G. / Tiraboschi, G. / Dreyer, M.K. / Maignan, S. / Chevalier, A. / Halley, F. / Bertrand, P. / Burgevin, M.C. / Quarteronet, D. / Rooney, T.
External linksBioorg. Med. Chem. Lett. / PubMed:20167481
MethodsX-ray diffraction
Resolution2.03 - 2.4 Å
Structure data

PDB-3lau:
Crystal Structure of Aurora2 kinase in complex with a GSK3beta inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-3lfn:
Crystal structure of CDK2 with SAR57, an aminoindazole type inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.28 Å

PDB-3lfq:
Crystal structure of CDK2 with SAR60, an aminoindazole type inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-3lfs:
Crystal structure of CDK2 with SAR37, an aminoindazole type inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-OFI:
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide

ChemComp-HOH:
WATER

ChemComp-A27:
N-[6-(4-hydroxyphenyl)-5-phenyl-1H-indazol-3-yl]butanamide

ChemComp-A28:
N-(6,7-difluoro-5-phenyl-1H-indazol-3-yl)butanamide

ChemComp-A07:
N-(6-chloro-5-phenyl-1H-indazol-3-yl)butanamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Kinase inhibitor complex / ATP-binding / Cell cycle / Cytoplasm / Cytoskeleton / Kinase / Nucleotide-binding / Phosphoprotein / Polymorphism / Serine/threonine-protein kinase / Ubl conjugation / protein kinase fold / Acetylation / Cell division / Mitosis

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