2f9u - Revision history

OCA at 13:50, 13 March 2024

OCA — Wed, 13 Mar 2024 13:50:35 GMT

←Older revision		Revision as of 13:50, 13 March 2024
Line 3:		Line 3:
	<StructureSection load='2f9u' size='340' side='right'caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='2f9u' size='340' side='right'caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2f9u]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/~~9hepc 9hepc~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F9U FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>~~</td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.6Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 9HEPC])</td></tr>	+
	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [https://pdbe.org/2f9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [https://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>		<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [https://pdbe.org/2f9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [https://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q91RS4_9HEPC Q91RS4_9HEPC]
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
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	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2f9u ConSurf].		</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2f9u ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections.
-
-	Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid.,Venkatraman S, Njoroge FG, Wu W, Girijavallabhan V, Prongay AJ, Butkiewicz N, Pichardo J Bioorg Med Chem Lett. 2006 Mar 15;16(6):1628-32. Epub 2006 Jan 18. PMID:16413182<ref>PMID:16413182</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 2f9u" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Helicase 3D structures\|Helicase 3D structures]]		*[[Helicase 3D structures\|Helicase 3D structures]]
	*[[Virus protease 3D structures\|Virus protease 3D structures]]		*[[Virus protease 3D structures\|Virus protease 3D structures]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Hepacivirus C]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Butkiewicz, N]]	+	[[Category: Butkiewicz N]]
-	[[Category: Girijavallabhan, V]]	+	[[Category: Girijavallabhan V]]
-	[[Category: Njoroge~~, F G~~]]	+	[[Category: Njoroge FG]]
-	[[Category: Pichardo, J]]	+	[[Category: Pichardo J]]
-	[[Category: Prongay~~, A J~~]]	+	[[Category: Prongay AJ]]
-	[[Category: Venkatraman, S]]	+	[[Category: Venkatraman S]]
-	[[Category: Wu, W]]	+	[[Category: Wu W]]
-	~~[[Category: Hcv]]~~	+
-	~~[[Category: Hepatitis c protease]]~~	+
-	~~[[Category: Ketoamide inhibitor]]~~	+
-	~~[[Category: Ns3 protease]]~~	+
-	~~[[Category: Viral protein~~]]	+

OCA at 07:13, 24 February 2021

OCA — Wed, 24 Feb 2021 07:13:52 GMT

←Older revision		Revision as of 07:13, 24 February 2021
Line 1:		Line 1:

	==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==		==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==
-	<StructureSection load='2f9u' size='340' side='right' caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>	+	<StructureSection load='2f9u' size='340' side='right'caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=2F9U FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2f9u]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/9hepc 9hepc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F9U OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</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" id="ligandDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</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">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 9HEPC])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 9HEPC])</td></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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [~~http~~://pdbe.org/2f9u PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [https://pdbe.org/2f9u PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [https://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 30:		Line 30:

	==See Also==		==See Also==
-	*[[Helicase\|Helicase]]	+	*[[Helicase 3D structures\|Helicase 3D structures]]
		+	*[[Virus protease 3D structures\|Virus protease 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Butkiewicz, N]]		[[Category: Butkiewicz, N]]
	[[Category: Girijavallabhan, V]]		[[Category: Girijavallabhan, V]]

OCA at 08:29, 14 June 2018

OCA — Thu, 14 Jun 2018 08:29:31 GMT

←Older revision		Revision as of 08:29, 14 June 2018
Line 1:		Line 1:
		+
	==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==		==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==
	<StructureSection load='2f9u' size='340' side='right' caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='2f9u' size='340' side='right' caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 9HEPC])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 9HEPC])</td></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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://pdbe.org/2f9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum]</span></td></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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://pdbe.org/2f9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2f9u ProSAT]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 12:		Line 13:
	Check<jmol>		Check<jmol>
	<jmolCheckbox>		<jmolCheckbox>
-	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f9/2f9u_consurf.spt"</scriptWhenChecked>	+	<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f9/2f9u_consurf.spt"</scriptWhenChecked>
	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>		<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>

OCA at 06:14, 7 February 2016

OCA — Sun, 07 Feb 2016 06:14:07 GMT

←Older revision		Revision as of 06:14, 7 February 2016
Line 16:		Line 16:
	<text>to colour the structure by Evolutionary Conservation</text>		<text>to colour the structure by Evolutionary Conservation</text>
	</jmolCheckbox>		</jmolCheckbox>
-	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/~~chain_selection~~.php?pdb_ID=~~2ata~~ ConSurf].	+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2f9u ConSurf].
	<div style="clear:both"></div>		<div style="clear:both"></div>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 22:37, 9 September 2015

OCA — Wed, 09 Sep 2015 22:37:36 GMT

←Older revision		Revision as of 22:37, 9 September 2015
Line 2:		Line 2:
	<StructureSection load='2f9u' size='340' side='right' caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='2f9u' size='340' side='right' caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2F9U FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</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=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</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">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([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 protease domain ( residues 1027-1207 of the polyprotein). ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 9HEPC])</td></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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum]</span></td></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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://pdbe.org/2f9u PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum]</span></td></tr>
	</table>		</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
Line 26:		Line 26:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 2f9u" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 33:		Line 34:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Hepatitis c virus]]
	[[Category: Butkiewicz, N]]		[[Category: Butkiewicz, N]]
	[[Category: Girijavallabhan, V]]		[[Category: Girijavallabhan, V]]

OCA at 08:00, 16 January 2015

OCA — Fri, 16 Jan 2015 08:00:45 GMT

←Older revision		Revision as of 08:00, 16 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2F9U FirstGlance]. <br>		<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</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]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>
-	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([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 protease domain ( residues 1027-1207 of the polyprotein). ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])</td></tr>
-	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum]</span></td></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=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum]</span></td></tr>
-	<table>	+	</table>
	== Evolutionary Conservation ==		== Evolutionary Conservation ==
	[[Image:Consurf_key_small.gif\|200px\|right]]		[[Image:Consurf_key_small.gif\|200px\|right]]
Line 34:		Line 34:
	</StructureSection>		</StructureSection>
	[[Category: Hepatitis c virus]]		[[Category: Hepatitis c virus]]
-	[[Category: Butkiewicz, N.]]	+	[[Category: Butkiewicz, N]]
-	[[Category: Girijavallabhan, V.]]	+	[[Category: Girijavallabhan, V]]
-	[[Category: Njoroge, F G.]]	+	[[Category: Njoroge, F G]]
-	[[Category: Pichardo, J.]]	+	[[Category: Pichardo, J]]
-	[[Category: Prongay, A J.]]	+	[[Category: Prongay, A J]]
-	[[Category: Venkatraman, S.]]	+	[[Category: Venkatraman, S]]
-	[[Category: Wu, W.]]	+	[[Category: Wu, W]]
	[[Category: Hcv]]		[[Category: Hcv]]
	[[Category: Hepatitis c protease]]		[[Category: Hepatitis c protease]]

OCA at 03:21, 29 September 2014

OCA — Mon, 29 Sep 2014 03:21:48 GMT

←Older revision		Revision as of 03:21, 29 September 2014
Line 1:		Line 1:
-	[[~~Image:~~2f9u.~~png~~\|~~left~~\|200px]]	+	==HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane==
		+	<StructureSection load='2f9u' size='340' side='right' caption='[[2f9u]], [[Resolution\|resolution]] 2.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[2f9u]] 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=2F9U OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2F9U FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5NH:1,1-DIMETHYLETHYL+[1-CYCLOHEXYL-2-[3-[[[1-[2-[[2-[[2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO]-2-OXOETHYL]AMINO]-1,2-DIOXOETHYL]PENTYL]AMINO]CARBONYL]-2-AZABICYCLO[2.2.1]HEPTAN-2-YL]-2-OXOETHYL]CARBAMATE'>5NH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[1a1r\|1a1r]], [[1jxp\|1jxp]], [[2a4g\|2a4g]], [[2a4q\|2a4q]], [[2a4r\|2a4r]], [[1n1l\|1n1l]]</td></tr>
		+	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">NS3 protease domain ( residues 1027-1207 of the polyprotein). ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=11103 Hepatitis C virus])</td></tr>
		+	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2f9u FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f9u OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2f9u RCSB], [http://www.ebi.ac.uk/pdbsum/2f9u PDBsum]</span></td></tr>
		+	<table>
		+	== Evolutionary Conservation ==
		+	[[Image:Consurf_key_small.gif\|200px\|right]]
		+	Check<jmol>
		+	<jmolCheckbox>
		+	<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/f9/2f9u_consurf.spt"</scriptWhenChecked>
		+	<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
		+	<text>to colour the structure by Evolutionary Conservation</text>
		+	</jmolCheckbox>
		+	</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary\|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
		+	<div style="clear:both"></div>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Prolonged hepatitis C infection is the leading cause for cirrhosis of the liver and hepatocellular carcinoma. The etiological agent HCV virus codes a single polyprotein of approximately 3000 amino acids that is processed with the help of a serine protease NS3A to produce structural and non-structural proteins required for viral replication. Inhibition of NS3 protease can potentially be used to develop drugs for treatment of HCV infections. Herein, we report the development of a series of novel NS3 serine protease inhibitors derived from 2-aza-bicyclo[2.2.1]-heptane carboxylic acid with potential therapeutic use for treatment of HCV infections.

-	~~{{STRUCTURE_2f9u\| PDB=2f9u \| SCENE= }}~~	+	Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid.,Venkatraman S, Njoroge FG, Wu W, Girijavallabhan V, Prongay AJ, Butkiewicz N, Pichardo J Bioorg Med Chem Lett. 2006 Mar 15;16(6):1628-32. Epub 2006 Jan 18. PMID:16413182<ref>PMID:16413182</ref>

-	~~===HCV NS3 protease domain with NS4a peptide and~~ a ~~ketoamide inhibitor with a P2 norborane===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_16413182}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[2f9u]] 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=2F9U OCA].~~	+

	==See Also==		==See Also==
	*[[Helicase\|Helicase]]		*[[Helicase\|Helicase]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:016413182<~~/~~ref~~><ref group="xtra">PMID:008861917</ref><ref group="xtra">PMID:016112862</ref><ref group="xtra">PMID:016078825</ref><ref group="xtra">PMID:016211639</ref><ref group="xtra">PMID:015501035</ref><references group="xtra"/>	+	__TOC__
		+	</StructureSection>
	[[Category: Hepatitis c virus]]		[[Category: Hepatitis c virus]]
	[[Category: Butkiewicz, N.]]		[[Category: Butkiewicz, N.]]

OCA at 05:49, 20 October 2012

OCA — Sat, 20 Oct 2012 05:49:07 GMT

←Older revision		Revision as of 05:49, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[2f9u]] is a 4 chain structure ~~of [[Helicase]]~~ 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=2F9U OCA].	+	[[2f9u]] 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=2F9U OCA].

	==See Also==		==See Also==

OCA at 11:13, 25 July 2012

OCA — Wed, 25 Jul 2012 11:13:47 GMT

←Older revision		Revision as of 11:13, 25 July 2012
Line 1:		Line 1:
	[[Image:2f9u.png\|left\|200px]]		[[Image:2f9u.png\|left\|200px]]

-	<!--
-	The line below this paragraph, containing "STRUCTURE_2f9u", creates the "Structure Box" on the page.
-	You may change the PDB parameter (which sets the PDB file loaded into the applet)
-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-	or leave the SCENE parameter empty for the default display.
-	-->
	{{STRUCTURE_2f9u\| PDB=2f9u \| SCENE= }}		{{STRUCTURE_2f9u\| PDB=2f9u \| SCENE= }}

	===HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane===		===HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with a P2 norborane===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_16413182}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 16413182 is the PubMed ID number.
-	-->
	{{ABSTRACT_PUBMED_16413182}}		{{ABSTRACT_PUBMED_16413182}}

	==About this Structure==		==About this Structure==
-	[[2f9u]] 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=2F9U OCA].	+	[[2f9u]] is a 4 chain structure of [[Helicase]] 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=2F9U OCA].
		+
		+	==See Also==
		+	*[[Helicase\|Helicase]]

	==Reference==		==Reference==
-	<ref group="xtra">PMID:~~16413182~~</ref><ref group="xtra">PMID:~~8861917~~</ref><ref group="xtra">PMID:~~16112862~~</ref><ref group="xtra">PMID:~~16078825~~</ref><ref group="xtra">PMID:~~16211639~~</ref><ref group="xtra">PMID:~~15501035~~</ref><references group="xtra"/>	+	<ref group="xtra">PMID:016413182</ref><ref group="xtra">PMID:008861917</ref><ref group="xtra">PMID:016112862</ref><ref group="xtra">PMID:016078825</ref><ref group="xtra">PMID:016211639</ref><ref group="xtra">PMID:015501035</ref><references group="xtra"/>
	[[Category: Hepatitis c virus]]		[[Category: Hepatitis c virus]]
	[[Category: Butkiewicz, N.]]		[[Category: Butkiewicz, N.]]

OCA: Protected "2f9u" [edit=sysop:move=sysop]

OCA — Mon, 14 Mar 2011 21:29:10 GMT

Protected "2f9u" [edit=sysop:move=sysop]

←Older revision

Revision as of 21:29, 14 March 2011