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Structure paper

TitleConformation-Selective Analogues of Dasatinib Reveal Insight into Kinase Inhibitor Binding and Selectivity.
Journal, issue, pagesAcs Chem. Biol., Vol. 11, Page 1296-1304, Year 2016
Publish dateFeb 18, 2015 (structure data deposition date)
AuthorsKwarcinski, F.E. / Brandvold, K.R. / Phadke, S. / Beleh, O.M. / Johnson, T.K. / Meagher, J.L. / Seeliger, M.A. / Stuckey, J.A. / Soellner, M.B.
External linksAcs Chem. Biol. / PubMed:26895387
MethodsX-ray diffraction
Resolution2.5 - 2.9 Å
Structure data

PDB-4ybj:
Type II Dasatinib Analog Crystallized with c-Src Kinase
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

PDB-4ybk:
C-Helix-Out Dasatinib Analog Crystallized with c-Src Kinase
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-4yc8:
C-Helix-Out Binding of Dasatinib Analog to c-Abl Kinase
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-4A9:
2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(3-{[3-(trifluoromethyl)benzoyl]amino}phenyl)-1,3-thiazole-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-4B7:
2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-N-(4-phenoxyphenyl)-1,3-thiazole-5-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

Source
  • gallus gallus (chicken)
  • homo sapiens (human)
KeywordsTRANSFERASE / Protein kinase / inactive conformation / C-Helix-Out / Kinase

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