Computational Study of Gleevec and G6G Reveals Molecular Determinants of Kinase Inhibitor Selectivity
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Computational Study of Gleevec and G6G Reveals Molecular Determinants of Kinase Inhibitor Selectivity
Gleevec is a potent inhibitor of Abl tyrosine kinase but not of the highly homologous c-Src kinase. Because the ligand binds to an inactive form of the protein in which an Asp-Phe-Gly structural motif along the activation loop adopts a so-called DFG-out conformation, it was suggested that binding specificity was controlled by a "conformational selection" mechanism. In this context, the binding ...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2014
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja504146x