2qiq: Difference between revisions
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[[Image:2qiq.jpg|left|200px]] | [[Image:2qiq.jpg|left|200px]] | ||
'''Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors''' | {{Structure | ||
|PDB= 2qiq |SIZE=350|CAPTION= <scene name='initialview01'>2qiq</scene>, resolution 1.900Å | |||
|SITE= <scene name='pdbsite=AC1:Cyv+Binding+Site+For+Residue+A+302'>AC1</scene> | |||
|LIGAND= <scene name='pdbligand=CYV:'>CYV</scene> | |||
|ACTIVITY= | |||
|GENE= rep ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227859 SARS coronavirus]) | |||
}} | |||
'''Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2QIQ is a [ | 2QIQ is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sars_coronavirus Sars coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QIQ OCA]. | ||
==Reference== | ==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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/17855091 17855091] | ||
[[Category: Sars coronavirus]] | [[Category: Sars coronavirus]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: viral protein]] | [[Category: viral protein]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:26:15 2008'' | ||
Revision as of 16:26, 20 March 2008
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| 2qiq, resolution 1.900Å | |||||||||||||
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| Sites: | AC1 | ||||||||||||
| Ligands: | CYV | ||||||||||||
| 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
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