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Keywords:

  • crystallography;
  • kinases;
  • molecular recognition;
  • proteins
Thumbnail image of graphical abstract

Picking the pocket: Crystal-packing interactions are present in every macromolecular structure solved with X-ray methods; however, they have not been extensively used to gain insight into molecular recognition. A novel approach is described to utilize these packing interactions for the discovery of a flexible binding site and ligands recognized by it (see picture).