A structural informatics approach to mine kinase knowledge bases

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In this article, the authors describe a combination of structural informatics approaches developed to mine data extracted from existing structure knowledge bases (Protein Data Bank and the GVK database) with a focus on kinase ATP-binding site data.

Furthermore, in contrast to existing systems that retrieve and analyze protein structures, their techniques are centered on a database of ligand-bound geometries in relation to residues lining the binding site and transparent access to ligand-based SAR data. They illustrate the systems in the context of the Abelson kinase and related inhibitor structures.

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