2xni

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==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==
==Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates==
<StructureSection load='2xni' size='340' side='right' caption='[[2xni]], [[Resolution|resolution]] 3.30&Aring;' scene=''>
<StructureSection load='2xni' size='340' side='right' caption='[[2xni]], [[Resolution|resolution]] 3.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2xni]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2XNI OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XNI FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TR8:(1-{[(10-TERT-BUTYL-15,15-DIMETHYL-3,9,12-TRIOXO-6,7,9,10,11,12,14,15,16,17,18,19,23,23A-TETRADECAHYDRO-1H,5H-2,23 5,8-DIMETHANO-4,13,2,8,11-BENZODIOXATRIAZACYCLOHENICOSIN-7(3H)-YL)CARBONYL]AMINO}-3-HYDROXYPROPYL)(TRIHYDROXY)BORATE(1-)'>TR8</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2xcf|2xcf]], [[2xcn|2xcn]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2xcf|2xcf]], [[2xcn|2xcn]]</td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xni FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xni OCA], [http://pdbe.org/2xni PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2xni RCSB], [http://www.ebi.ac.uk/pdbsum/2xni PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2xni ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 2xni" style="background-color:#fffaf0;"></div>
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Hepatitis c virus]]
 
[[Category: Baker, S J]]
[[Category: Baker, S J]]
[[Category: Carballo, L H]]
[[Category: Carballo, L H]]

Revision as of 04:20, 5 August 2016

Protein-ligand complex of a novel macrocyclic HCV NS3 protease inhibitor derived from amino cyclic boronates

2xni, resolution 3.30Å

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