2xcn

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{{Seed}}
 
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[[Image:2xcn.jpg|left|200px]]
 
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==Crystal structure of HCV NS3 protease with a boronate inhibitor==
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The line below this paragraph, containing "STRUCTURE_2xcn", creates the "Structure Box" on the page.
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<StructureSection load='2xcn' size='340' side='right'caption='[[2xcn]], [[Resolution|resolution]] 3.02&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[2xcn]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_C Hepacivirus C]. 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 [https://proteopedia.org/fgij/fg.htm?mol=2XCN FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.02&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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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{{STRUCTURE_2xcn| PDB=2xcn | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2xcn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xcn OCA], [https://pdbe.org/2xcn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2xcn RCSB], [https://www.ebi.ac.uk/pdbsum/2xcn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2xcn ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC]
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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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===CRYSTAL STRUCTURE OF HCV NS3 PROTEASE WITH A BORONATE INHIBITOR===
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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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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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<div class="pdbe-citations 2xcn" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_20493689}}, adds the Publication Abstract to the page
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 20493689 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_20493689}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Hepacivirus C]]
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2XCN is a 4 chains structure with sequences 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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[[Category: Large Structures]]
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[[Category: Baker SJ]]
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==Reference==
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[[Category: Ding CZ]]
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<ref group="xtra">PMID:20493689</ref><references group="xtra"/>
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[[Category: Edge CM]]
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[[Category: Hepatitis c virus]]
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[[Category: Ellis M]]
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[[Category: Baker, S J.]]
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[[Category: Fan D]]
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[[Category: Ding, C Z.]]
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[[Category: Grimes RM]]
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[[Category: Edge, C M.]]
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[[Category: Hubbard JA]]
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[[Category: Ellis, M.]]
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[[Category: Jarvest RL]]
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[[Category: Fan, D.]]
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[[Category: Kazmierski WM]]
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[[Category: Grimes, R M.]]
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[[Category: Lazarides LX]]
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[[Category: Hubbard, J A.]]
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[[Category: Li Q]]
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[[Category: Jarvest, R L.]]
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[[Category: Li X]]
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[[Category: Kazmierski, W M.]]
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[[Category: Liao L]]
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[[Category: Lazarides, L X.]]
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[[Category: Liu Y]]
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[[Category: Li, Q.]]
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[[Category: McDowell B]]
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[[Category: Li, X.]]
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[[Category: Mordaunt JE]]
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[[Category: Liao, L.]]
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[[Category: Nassau P]]
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[[Category: Liu, Y.]]
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[[Category: Ni Z-J]]
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[[Category: Mcdowell, B.]]
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[[Category: Pennicott LE]]
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[[Category: Mordaunt, J E.]]
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[[Category: Plattner JJ]]
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[[Category: Nassau, P.]]
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[[Category: Qian X]]
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[[Category: Ni, Z J.]]
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[[Category: Rowland P]]
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[[Category: Pennicott, L E.]]
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[[Category: Skarzynski TJ]]
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[[Category: Plattner, J J.]]
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[[Category: Slater MJ]]
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[[Category: Qian, X.]]
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[[Category: Smith GK]]
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[[Category: Rowland, P.]]
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[[Category: Somers DO]]
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[[Category: Skarzynski, T J.]]
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[[Category: Thommes P]]
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[[Category: Slater, M J.]]
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[[Category: White GV]]
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[[Category: Smith, G K.]]
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[[Category: Wright J]]
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[[Category: Somers, D O.]]
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[[Category: Wright LL]]
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[[Category: Thommes, P.]]
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[[Category: Zhang Y-K]]
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[[Category: White, G V.]]
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[[Category: Zhou Y]]
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[[Category: Wright, J.]]
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[[Category: Zou W]]
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[[Category: Wright, L L.]]
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[[Category: Zhang, Y K.]]
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[[Category: Zhou, Y.]]
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[[Category: Zou, W.]]
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[[Category: Hydrolase]]
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[[Category: Serine protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 2 08:35:25 2010''
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Current revision

Crystal structure of HCV NS3 protease with a boronate inhibitor

PDB ID 2xcn

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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