2oc0: Difference between revisions
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<StructureSection load='2oc0' size='340' side='right' caption='[[2oc0]], [[Resolution|resolution]] 2.30Å' scene=''> | <StructureSection load='2oc0' size='340' side='right' caption='[[2oc0]], [[Resolution|resolution]] 2.30Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[2oc0]] 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=2OC0 OCA]. <br> | <table><tr><td colspan='2'>[[2oc0]] 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=2OC0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2OC0 FirstGlance]. <br> | ||
</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=HU1:TERT-BUTYL+{(1S)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE'>HU1</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>< | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BME:BETA-MERCAPTOETHANOL'>BME</scene>, <scene name='pdbligand=HU1:TERT-BUTYL+{(1S)-2-[(1R,2S,5S)-2-({[(1S)-3-AMINO-1-(CYCLOBUTYLMETHYL)-2,3-DIOXOPROPYL]AMINO}CARBONYL)-6,6-DIMETHYL-3-AZABICYCLO[3.1.0]HEX-3-YL]-1-CYCLOHEXYL-2-OXOETHYL}CARBAMATE'>HU1</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | ||
<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a1r|1a1r]], [[2a4g|2a4g]], [[2a4q|2a4q]], [[2a4r|2a4r]], [[2fm2|2fm2]], [[2f9v|2f9v]]</td></tr> | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1a1r|1a1r]], [[2a4g|2a4g]], [[2a4q|2a4q]], [[2a4r|2a4r]], [[2fm2|2fm2]], [[2f9v|2f9v]]</td></tr> | ||
<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])</td></tr> | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS3 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])</td></tr> | ||
<tr | <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=2oc0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2oc0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2oc0 RCSB], [http://www.ebi.ac.uk/pdbsum/2oc0 PDBsum]</span></td></tr> | ||
</table> | |||
<table> | |||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
== Publication Abstract from PubMed == | == Publication Abstract from PubMed == | ||
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Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl] - 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.,Prongay AJ, Guo Z, Yao N, Pichardo J, Fischmann T, Strickland C, Myers J Jr, Weber PC, Beyer BM, Ingram R, Hong Z, Prosise WW, Ramanathan L, Taremi SS, Yarosh-Tomaine T, Zhang R, Senior M, Yang RS, Malcolm B, Arasappan A, Bennett F, Bogen SL, Chen K, Jao E, Liu YT, Lovey RG, Saksena AK, Venkatraman S, Girijavallabhan V, Njoroge FG, Madison V J Med Chem. 2007 May 17;50(10):2310-8. Epub 2007 Apr 20. PMID:17444623<ref>PMID:17444623</ref> | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl] - 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.,Prongay AJ, Guo Z, Yao N, Pichardo J, Fischmann T, Strickland C, Myers J Jr, Weber PC, Beyer BM, Ingram R, Hong Z, Prosise WW, Ramanathan L, Taremi SS, Yarosh-Tomaine T, Zhang R, Senior M, Yang RS, Malcolm B, Arasappan A, Bennett F, Bogen SL, Chen K, Jao E, Liu YT, Lovey RG, Saksena AK, Venkatraman S, Girijavallabhan V, Njoroge FG, Madison V J Med Chem. 2007 May 17;50(10):2310-8. Epub 2007 Apr 20. PMID:17444623<ref>PMID:17444623</ref> | ||
From | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
== References == | == References == | ||
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</StructureSection> | </StructureSection> | ||
[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: Arasappan, A | [[Category: Arasappan, A]] | ||
[[Category: Bennett, F | [[Category: Bennett, F]] | ||
[[Category: Beyer, B M | [[Category: Beyer, B M]] | ||
[[Category: Bogen, S F | [[Category: Bogen, S F]] | ||
[[Category: Chen, K | [[Category: Chen, K]] | ||
[[Category: Fischmann, T | [[Category: Fischmann, T]] | ||
[[Category: Girijavallabhan, V | [[Category: Girijavallabhan, V]] | ||
[[Category: Guo, Z | [[Category: Guo, Z]] | ||
[[Category: Hong, Z | [[Category: Hong, Z]] | ||
[[Category: Ingram, R | [[Category: Ingram, R]] | ||
[[Category: Jao, E | [[Category: Jao, E]] | ||
[[Category: Liu, Y | [[Category: Liu, Y]] | ||
[[Category: Love, R G | [[Category: Love, R G]] | ||
[[Category: Madison, V | [[Category: Madison, V]] | ||
[[Category: Malcolm, B | [[Category: Malcolm, B]] | ||
[[Category: Myers, J | [[Category: Myers, J]] | ||
[[Category: Njoroge, F G | [[Category: Njoroge, F G]] | ||
[[Category: Pichardo, J | [[Category: Pichardo, J]] | ||
[[Category: Prongay, A J | [[Category: Prongay, A J]] | ||
[[Category: Prosise, W W | [[Category: Prosise, W W]] | ||
[[Category: Ramanathan, L | [[Category: Ramanathan, L]] | ||
[[Category: Saksena, A K | [[Category: Saksena, A K]] | ||
[[Category: Senior, M | [[Category: Senior, M]] | ||
[[Category: Strickland, C | [[Category: Strickland, C]] | ||
[[Category: Taremi, S S | [[Category: Taremi, S S]] | ||
[[Category: Venkatraman, S | [[Category: Venkatraman, S]] | ||
[[Category: Weber, P C | [[Category: Weber, P C]] | ||
[[Category: Yang, R | [[Category: Yang, R]] | ||
[[Category: Yao, N | [[Category: Yao, N]] | ||
[[Category: Yarosh-Tomaine, T | [[Category: Yarosh-Tomaine, T]] | ||
[[Category: Zhang, R | [[Category: Zhang, R]] | ||
[[Category: Hcv]] | [[Category: Hcv]] | ||
[[Category: Ketoamide inhibitor]] | [[Category: Ketoamide inhibitor]] | ||
[[Category: Ns3 protease domain]] | [[Category: Ns3 protease domain]] | ||
[[Category: Viral protein]] | [[Category: Viral protein]] | ||