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TitleStructural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 75, Page 18-28, Year 2010
Publish dateOct 27, 2009 (structure data deposition date)
AuthorsZhou, T. / Commodore, L. / Huang, W.S. / Wang, Y. / Sawyer, T.K. / Shakespeare, W.C. / Clackson, T. / Zhu, X. / Dalgarno, D.C.
External linksChem. Biol. Drug Des. / PubMed:19895503
MethodsX-ray diffraction
Resolution1.22 - 1.9 Å
Structure data

PDB-3kf4:
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-3kfa:
Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

Chemicals

ChemComp-B90:
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine

ChemComp-HOH:
WATER

ChemComp-B91:
3-{(E)-2-[6-(cyclopropylamino)-9H-purin-9-yl]ethenyl}-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

Source
  • mus musculus (house mouse)
KeywordsTRANSFERASE / Abl / CML / drug resistance / inhibitor / ATP-binding / Kinase / Nucleotide-binding / Oncogene / Tyrosine-protein kinase

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