Using ligand-mapping simulations to design a ligand selectively targeting a cryptic surface pocket of polo-like kinase 1

Angew Chem Int Ed Engl. 2012 Oct 1;51(40):10078-81. doi: 10.1002/anie.201205676. Epub 2012 Sep 7.
No abstract available

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Cell Cycle Proteins / chemistry*
  • Computer Simulation*
  • Crystallography, X-Ray
  • Drug Delivery Systems*
  • Hydrophobic and Hydrophilic Interactions
  • Ligands
  • Models, Molecular
  • Phosphopeptides / chemistry
  • Polo-Like Kinase 1
  • Protein Serine-Threonine Kinases / chemistry*
  • Proto-Oncogene Proteins / chemistry*

Substances

  • Cell Cycle Proteins
  • Ligands
  • Phosphopeptides
  • Proto-Oncogene Proteins
  • Protein Serine-Threonine Kinases