2qiq
From Proteopedia
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| , resolution 1.900Å | |||||||
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| Sites: | |||||||
| Ligands: | |||||||
| Gene: | rep (SARS coronavirus) | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors
Overview
Structure-based design, synthesis, and biological evaluation of a series of peptidomimetic severe acute respiratory syndrome-coronavirus chymotrypsin-like protease inhibitors are described. These inhibitors were designed and synthesized based upon our X-ray crystal structure of inhibitor 1 bound to SARS-CoV 3CLpro. Incorporation of Boc-Ser as the P(4)-ligand resulted in enhanced SARS-CoV 3CLpro inhibitory activity. Structural analysis of the inhibitor-bound X-ray structure revealed high binding affinity toward the enzyme.
About this Structure
2QIQ is a Single protein structure of sequence from Sars coronavirus. Full crystallographic information is available from OCA.
Reference
Structure-based design, synthesis, and biological evaluation of peptidomimetic SARS-CoV 3CLpro inhibitors., Ghosh AK, Xi K, Grum-Tokars V, Xu X, Ratia K, Fu W, Houser KV, Baker SC, Johnson ME, Mesecar AD, Bioorg Med Chem Lett. 2007 Nov 1;17(21):5876-80. Epub 2007 Aug 19. PMID:17855091
Page seeded by OCA on Thu Mar 20 18:26:15 2008
