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Structure paper

TitleStructural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 73, Page 466-470, Year 2009
Publish dateJan 7, 2009 (structure data deposition date)
AuthorsVillasenor, A.G. / Kondru, R. / Ho, H. / Wang, S. / Papp, E. / Shaw, D. / Barnett, J.W. / Browner, M.F. / Kuglstatter, A.
External linksChem. Biol. Drug Des. / PubMed:19220318
MethodsX-ray diffraction
Resolution2.1 - 2.5 Å
Structure data

PDB-3fqe:
Crystal structure of spleen tyrosine kinase complexed with YM193306
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-3fqh:
Crystal structure of spleen tyrosine kinase complexed with a 2-substituted 7-azaindole
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

PDB-3fqs:
Crystal structure of spleen tyrosine kinase complexed with R406
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-P5C:
2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(3-methylphenyl)amino]pyrimidine-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-057:
N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide

ChemComp-585:
6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SYK / SPLEEN TYPROSINE KINASE / KINASE INHIBITOR / PYRIMIDINE-5-CARBOXAMIDE / ATP-binding / Host-virus interaction / Kinase / Nucleotide-binding / Phosphoprotein / SH2 domain / Tyrosine-protein kinase / 7-AZAINDOLE / Alternative splicing / Polymorphism / Ubl conjugation / R406 / R788 / AMINO-PYRIMIDINE

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