2xcn

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[[Image:2xcn.png|left|200px]]
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==CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR==
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<StructureSection load='2xcn' size='340' side='right' caption='[[2xcn]], [[Resolution|resolution]] 3.02&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[2xcn]] 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=2XCN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XCN FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C8D:N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE'>C8D</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2xcf|2xcf]], [[2a4q|2a4q]], [[2f9u|2f9u]], [[2a4r|2a4r]]</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=2xcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xcn OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xcn RCSB], [http://www.ebi.ac.uk/pdbsum/2xcn PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We have designed and synthesized a novel series of alpha-amino cyclic boronates and incorporated them successfully in several acyclic templates at the P1 position. These compounds are inhibitors of the HCV NS3 serine protease, and structural studies show that they inhibit the NS3 protease by trapping the Ser-139 hydroxyl group in the active site. Synthetic methodologies and SARs of this series of compounds are described.
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{{STRUCTURE_2xcn| PDB=2xcn | SCENE= }}
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Synthesis and evaluation of novel alpha-amino cyclic boronates as inhibitors of HCV NS3 protease.,Li X, Zhang YK, Liu Y, Ding CZ, Li Q, Zhou Y, Plattner JJ, Baker SJ, Qian X, Fan D, Liao L, Ni ZJ, White GV, Mordaunt JE, Lazarides LX, Slater MJ, Jarvest RL, Thommes P, Ellis M, Edge CM, Hubbard JA, Somers D, Rowland P, Nassau P, McDowell B, Skarzynski TJ, Kazmierski WM, Grimes RM, Wright LL, Smith GK, Zou W, Wright J, Pennicott LE Bioorg Med Chem Lett. 2010 Jun 15;20(12):3550-6. Epub 2010 May 20. PMID:20493689<ref>PMID:20493689</ref>
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===CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_20493689}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[2xcn]] 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=2XCN OCA].
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</StructureSection>
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==Reference==
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<ref group="xtra">PMID:020493689</ref><references group="xtra"/>
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[[Category: Hepatitis c virus]]
[[Category: Hepatitis c virus]]
[[Category: Baker, S J.]]
[[Category: Baker, S J.]]

Revision as of 13:04, 22 October 2014

CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR

2xcn, resolution 3.02Å

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