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Structure paper

TitleA conserved water-mediated hydrogen bond network defines bosutinib's kinase selectivity.
Journal, issue, pagesNat. Chem. Biol., Vol. 10, Page 127-132, Year 2014
Publish dateSep 26, 2013 (structure data deposition date)
AuthorsLevinson, N.M. / Boxer, S.G.
External linksNat. Chem. Biol. / PubMed:24292070
MethodsX-ray diffraction
Resolution2.105 - 2.6 Å
Structure data

PDB-4mxo:
human Src kinase bound to kinase inhibitor bosutinib
Method: X-RAY DIFFRACTION / Resolution: 2.105 Å

PDB-4mxx:
Human Src A403T mutant bound to kinase inhibitor bosutinib
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4mxy:
Src M314L T338M double mutant bound to kinase inhibitor bosutinib
Method: X-RAY DIFFRACTION / Resolution: 2.582 Å

PDB-4mxz:
Src M314L T338M double mutant bound to kinase inhibitor bosutinib
Method: X-RAY DIFFRACTION / Resolution: 2.582 Å

Chemicals

ChemComp-DB8:
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile / inhibitor, medication*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Kinase / Phosphorylation / TRANSFERASE-TRANSFERASE INHIBITOR complex

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