4tyd - Revision history

OCA at 11:18, 9 May 2024

OCA — Thu, 09 May 2024 11:18:41 GMT

←Older revision		Revision as of 11:18, 9 May 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_1) Hepatitis C virus (isolate 1)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TYD FirstGlance]. <br>		<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_1) Hepatitis C virus (isolate 1)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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]] 2.84Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [https://pdbe.org/4tyd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [https://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd 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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [https://pdbe.org/4tyd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [https://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:51, 22 March 2023

OCA — Wed, 22 Mar 2023 07:51:49 GMT

←Older revision		Revision as of 07:51, 22 March 2023
Line 3:		Line 3:
	<StructureSection load='4tyd' size='340' side='right'caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4tyd' size='340' side='right'caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Hcv Hcv~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4TYD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepatitis_C_virus_(isolate_1) Hepatitis C virus (isolate 1)]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [~~http~~://pdbe.org/4tyd PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd 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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [https://pdbe.org/4tyd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [https://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q0ZNA6_9HEPC Q0ZNA6_9HEPC]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 16:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4tyd" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4tyd" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Virus protease 3D structures\|Virus protease 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Hcv]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Parsy, C]]	+	[[Category: Parsy C]]
-	~~[[Category: Azetidine inhibitor]]~~	+
-	~~[[Category: Hcv ns3/4a serine protease]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Proteros biostructures gmbh]]~~	+
-	~~[[Category: Structure-based design~~]]	+

OCA at 11:14, 26 February 2020

OCA — Wed, 26 Feb 2020 11:14:16 GMT

←Older revision		Revision as of 11:14, 26 February 2020
Line 1:		Line 1:

	==Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease==		==Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease==
-	<StructureSection load='4tyd' size='340' side='right' caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>	+	<StructureSection load='4tyd' size='340' side='right'caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [http://en.wikipedia.org/wiki/Hcv Hcv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>		<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [http://en.wikipedia.org/wiki/Hcv Hcv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
Line 21:		Line 21:
	</StructureSection>		</StructureSection>
	[[Category: Hcv]]		[[Category: Hcv]]
		+	[[Category: Large Structures]]
	[[Category: Parsy, C]]		[[Category: Parsy, C]]
	[[Category: Azetidine inhibitor]]		[[Category: Azetidine inhibitor]]

OCA at 05:45, 25 April 2018

OCA — Wed, 25 Apr 2018 05:45:04 GMT

←Older revision		Revision as of 05:45, 25 April 2018
Line 3:		Line 3:
	<StructureSection load='4tyd' size='340' side='right' caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4tyd' size='340' side='right' caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure with sequence from [http://en.wikipedia.org/wiki/Hcv Hcv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://pdbe.org/4tyd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd ProSAT]</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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://pdbe.org/4tyd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd ProSAT]</span></td></tr>
Line 20:		Line 20:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Hcv]]
	[[Category: Parsy, C]]		[[Category: Parsy, C]]
	[[Category: Azetidine inhibitor]]		[[Category: Azetidine inhibitor]]

OCA at 14:04, 11 August 2016

OCA — Thu, 11 Aug 2016 14:04:15 GMT

←Older revision		Revision as of 14:04, 11 August 2016
Line 1:		Line 1:
		+
	==Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease==		==Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease==
	<StructureSection load='4tyd' size='340' side='right' caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>		<StructureSection load='4tyd' size='340' side='right' caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>
Line 4:		Line 5:
	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>		<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd 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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://pdbe.org/4tyd PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4tyd ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 14:		Line 15:
	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 4tyd" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:51, 20 January 2015

OCA — Tue, 20 Jan 2015 11:51:52 GMT

←Older revision		Revision as of 11:51, 20 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>		<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd 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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd PDBsum]</span></td></tr>
-	<table>	+	</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 18:		Line 18:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Parsy, C.]]	+	[[Category: Parsy, C]]
	[[Category: Azetidine inhibitor]]		[[Category: Azetidine inhibitor]]
	[[Category: Hcv ns3/4a serine protease]]		[[Category: Hcv ns3/4a serine protease]]

OCA at 09:59, 10 September 2014

OCA — Wed, 10 Sep 2014 09:59:03 GMT

←Older revision		Revision as of 09:59, 10 September 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease==
		+	<StructureSection load='4tyd' size='340' side='right' caption='[[4tyd]], [[Resolution\|resolution]] 2.84Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[4tyd]] is a 12 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TYD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TYD FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3EO:(4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide'>3EO</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
		+	<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=4tyd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tyd OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4tyd RCSB], [http://www.ebi.ac.uk/pdbsum/4tyd PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Structural homology between thrombin inhibitors and the early tetrapeptide HCV protease inhibitor led to the bioisosteric replacement of the P2 proline by a 2,4-disubstituted azetidine within the macrocyclic beta-strand mimic. Molecular modeling guided the design of the series. This approach was validated by the excellent activity and selectivity in biochemical and cell based assays of this novel series and confirmed by the co-crystal structure of the inhibitor with the NS3/4A protein (PDB code: 4TYD).

-	~~The entry 4tyd is ON HOLD~~	+	Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.,Parsy C, Alexandre FR, Brandt G, Caillet C, Cappelle S, Chaves D, Convard T, Derock M, Gloux D, Griffon Y, Lallos L, Leroy F, Liuzzi M, Loi AG, Moulat L, Musiu C, Rahali H, Roques V, Seifer M, Standring D, Surleraux D Bioorg Med Chem Lett. 2014 Aug 9. pii: S0960-894X(14)00833-6. doi:, 10.1016/j.bmcl.2014.08.002. PMID:25155387<ref>PMID:25155387</ref>

-	~~Authors~~: Parsy, C.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: Structure-based design ~~of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Parsy, C.]]
		+	[[Category: Azetidine inhibitor]]
		+	[[Category: Hcv ns3/4a serine protease]]
		+	[[Category: Hydrolase]]
		+	[[Category: Proteros biostructures gmbh]]
		+	[[Category: Structure-based design]]

OCA: Protected "4tyd" [edit=sysop:move=sysop]

OCA — Wed, 16 Jul 2014 09:57:10 GMT

Protected "4tyd" [edit=sysop:move=sysop]

←Older revision

Revision as of 09:57, 16 July 2014

OCA: New page: '''Unreleased structure''' The entry 4tyd is ON HOLD Authors: Parsy, C. Description: Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A se...

OCA — Wed, 16 Jul 2014 09:57:09 GMT

New page: '''Unreleased structure''' The entry 4tyd is ON HOLD Authors: Parsy, C. Description: Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A se...

New page

'''Unreleased structure'''

The entry 4tyd is ON HOLD

Authors: Parsy, C.

Description: Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease