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2alv

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[[Image:2alv.gif|left|200px]]<br /><applet load="2alv" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2alv.gif|left|200px]]
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caption="2alv, resolution 1.90&Aring;" />
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'''X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors'''<br />
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{{Structure
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|PDB= 2alv |SIZE=350|CAPTION= <scene name='initialview01'>2alv</scene>, resolution 1.90&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=CY6:N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE'>CY6</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2ALV is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_sars_coronavirus Human sars coronavirus] with <scene name='pdbligand=CY6:'>CY6</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ALV OCA].
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2ALV is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Human_sars_coronavirus Human sars coronavirus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2ALV OCA].
==Reference==
==Reference==
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Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors., Ghosh AK, Xi K, Ratia K, Santarsiero BD, Fu W, Harcourt BH, Rota PA, Baker SC, Johnson ME, Mesecar AD, J Med Chem. 2005 Nov 3;48(22):6767-71. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16250632 16250632]
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Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors., Ghosh AK, Xi K, Ratia K, Santarsiero BD, Fu W, Harcourt BH, Rota PA, Baker SC, Johnson ME, Mesecar AD, J Med Chem. 2005 Nov 3;48(22):6767-71. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16250632 16250632]
[[Category: Human sars coronavirus]]
[[Category: Human sars coronavirus]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: protease]]
[[Category: protease]]
[[Category: proteinase]]
[[Category: proteinase]]
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[[Category: sars]]
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[[Category: sar]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:28:39 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:51:11 2008''

Revision as of 13:51, 20 March 2008

Image:2alv.gif


PDB ID 2alv

Drag the structure with the mouse to rotate
, resolution 1.90Å
Ligands:
Coordinates: save as pdb, mmCIF, xml



X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors


Overview

Design, synthesis, and biological evaluation of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease (SARS-3CLpro) inhibitors for severe acute respiratory syndrome coronavirus (SARS-CoV) are described. These inhibitors exhibited antiviral activity against SARS-CoV in infected cells in the micromolar range. An X-ray crystal structure of our lead inhibitor (4) bound to SARS-3CLpro provided important drug-design templates for the design of small-molecule inhibitors.

About this Structure

2ALV is a Single protein structure of sequence from Human sars coronavirus. Full crystallographic information is available from OCA.

Reference

Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors., Ghosh AK, Xi K, Ratia K, Santarsiero BD, Fu W, Harcourt BH, Rota PA, Baker SC, Johnson ME, Mesecar AD, J Med Chem. 2005 Nov 3;48(22):6767-71. PMID:16250632

Page seeded by OCA on Thu Mar 20 15:51:11 2008

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