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- W2048728049 abstract "Protein phosphatase 2C (PP2C) is an archetype of the PPM Ser/Thr phosphatases, characterized by dependence on divalent magnesium or manganese cofactors, absence of known regulatory proteins, and resistance to all known Ser/Thr phosphatase inhibitors. We have used virtual ligand screening with the AutoDock method and the National Cancer Institute Diversity Set to identify small-molecule inhibitors of PP2Cα activity at a protein substrate. These inhibitors are active in the micromolar range and represent the first non-phosphate-based molecules found to inhibit a type 2C phosphatase. The compounds docked to three recurrent binding sites near the PP2Cα active site and displayed novel Ser/Thr phosphatase selectivity profiles. Common chemical features of these compounds may form the basis for development of a PP2C inhibitor pharmacophore and may facilitate investigation of PP2C control and cellular function." @default.
- W2048728049 created "2016-06-24" @default.
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- W2048728049 date "2006-02-11" @default.
- W2048728049 modified "2023-10-03" @default.
- W2048728049 title "Discovery of Protein Phosphatase 2C Inhibitors by Virtual Screening" @default.
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- W2048728049 doi "https://doi.org/10.1021/jm051033y" @default.
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