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Using a fragment‐based docking procedure, several small‐molecule inhibitors of caspase‐3 were identified and tested and the crystal structures of three inhibitor complexes were determined. The crystal structures revealed that one inhibitor (NSC 18508) occupies only the S1 subsite, while two other inhibitors (NSC 89167 and NSC 251810) bind only to the prime part of the substrate‐binding site. One of...
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