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Structure paper

TitleStructural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 67, Page 46-57, Year 2006
Publish dateOct 20, 2005 (structure data deposition date)
AuthorsDalgarno, D. / Stehle, T. / Narula, S. / Schelling, P. / van Schravendijk, M.R. / Adams, S. / Andrade, L. / Keats, J. / Ram, M. / Jin, L. ...Dalgarno, D. / Stehle, T. / Narula, S. / Schelling, P. / van Schravendijk, M.R. / Adams, S. / Andrade, L. / Keats, J. / Ram, M. / Jin, L. / Grossman, T. / MacNeil, I. / Metcalf III, C. / Shakespeare, W. / Wang, Y. / Keenan, T. / Sundaramoorthi, R. / Bohacek, R. / Weigele, M. / Sawyer, T.
External linksChem. Biol. Drug Des. / PubMed:16492148
MethodsX-ray diffraction
Resolution2.1 - 2.5 Å
Structure data

PDB-2bdf:
Src kinase in complex with inhibitor AP23451
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-2bdj:
Src kinase in complex with inhibitor AP23464
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-24A:
{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID

ChemComp-HOH:
WATER

ChemComp-HET:
3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Src Kinase Inhibitor

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