2qiq

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[[Image:2qiq.jpg|left|200px]]
[[Image:2qiq.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2qiq |SIZE=350|CAPTION= <scene name='initialview01'>2qiq</scene>, resolution 1.900&Aring;
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The line below this paragraph, containing "STRUCTURE_2qiq", creates the "Structure Box" on the page.
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|SITE= <scene name='pdbsite=AC1:Cyv+Binding+Site+For+Residue+A+302'>AC1</scene>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CYV:ETHYL+(4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE'>CYV</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE= rep ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=227859 SARS coronavirus])
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-->
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|DOMAIN=
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{{STRUCTURE_2qiq| PDB=2qiq | SCENE= }}
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|RELATEDENTRY=[[2alv|2ALV]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qiq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qiq OCA], [http://www.ebi.ac.uk/pdbsum/2qiq PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qiq RCSB]</span>
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}}
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'''Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors'''
'''Structure-based Design and Synthesis and Biological Evaluation of Peptidomimetic SARS-3CLpro Inhibitors'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Grum-Tokars, V.]]
[[Category: Grum-Tokars, V.]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: viral protein]]
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[[Category: Viral protein]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 15:01:46 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:49:39 2008''
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Revision as of 12:01, 4 May 2008

Image:2qiq.jpg

Template:STRUCTURE 2qiq

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 Sun May 4 15:01:46 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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