3wcm - Revision history

OCA at 08:44, 20 March 2024

OCA — Wed, 20 Mar 2024 08:44:37 GMT

←Older revision		Revision as of 08:44, 20 March 2024
Line 3:		Line 3:
	<StructureSection load='3wcm' size='340' side='right'caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='3wcm' size='340' side='right'caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WCM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WCM FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=ER4:(3R)~~-~~3-{~~[~~2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL~~]~~ETHYNYL}-1-AZABICYCLO[~~2.~~2.2]OCTAN-3-OL'>ER4</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]] 2.06Å</td></tr>
-	<tr id='~~related~~'><td class="sblockLbl"><b>[[~~Related_structure~~\|~~Related~~:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene></td></tr>
-	~~<tr~~ id~~='gene'><td class~~="~~sblockLbl~~"><~~b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FDFT1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>~~	+
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b></td><td class="sblockDat"><span class='plainlinks'>~~[~~https://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase~~]~~, with EC number~~ [~~https://www~~.~~brenda-enzymes.info/php/result_flat.php4?ecno=~~2.~~5.1.21~~ 2~~.5.1.21~~] </~~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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [https://pdbe.org/3wcm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [https://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm 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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [https://pdbe.org/3wcm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [https://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm ProSAT]</span></td></tr>
	</table>		</table>
-	~~<div style~~=~~"background-color:#fffaf0;">~~	+	== Function ==
-	=~~= Publication Abstract from PubMed~~ ==	+	[https://www.uniprot.org/uniprot/FDFT_HUMAN FDFT_HUMAN]
-	Trypanosomatid parasites are the causative agents of many neglected tropical diseases and there is currently considerable interest in targeting endogenous sterol biosynthesis in these organisms as a route to the development of novel anti-infective drugs. Here, we report the first x-ray crystallographic structures of the enzyme squalene synthase (SQS) from a trypanosomatid parasite, Trypanosoma cruzi, the causative agent of Chagas disease. We obtained five structures of T. cruzi SQS and eight structures of human SQS with four classes of inhibitors: the substrate-analog S-thiolo-farnesyl diphosphate, the quinuclidines E5700 and ER119884, several lipophilic bisphosphonates, and the thiocyanate WC-9, with the structures of the two very potent quinuclidines suggesting strategies for selective inhibitor development. We also show that the lipophilic bisphosphonates have low nM activity against T. cruzi and inhibit endogenous sterol biosynthesis and that E5700 acts synergistically with the azole drug, posaconazole. The determination of the structures of trypanosomatid and human SQS enzymes with a diverse set of inhibitors active in cells provides insights into SQS inhibition, of interest in the context of the development of drugs against Chagas disease.	+
-		+
-	Squalene synthase as a target for Chagas disease therapeutics.,Shang N, Li Q, Ko TP, Chan HC, Li J, Zheng Y, Huang CH, Ren F, Chen CC, Zhu Z, Galizzi M, Li ZH, Rodrigues-Poveda CA, Gonzalez-Pacanowska D, Veiga-Santos P, de Carvalho TM, de Souza W, Urbina JA, Wang AH, Docampo R, Li K, Liu YL, Oldfield E, Guo RT PLoS Pathog. 2014 May 1;10(5):e1004114. doi: 10.1371/~~journal.ppat.1004114., eCollection 2014 May. PMID:24789335<ref>PMID:24789335<~~/~~ref>~~	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U~~.S. ~~National Library of Medicine.<br>~~	+
-	</~~div>~~	+
-	~~<div class="pdbe-citations 3wcm" style="background-color:#fffaf0;"><~~/~~div>~~	+

	==See Also==		==See Also==
	*[[Squalene synthase\|Squalene synthase]]		*[[Squalene synthase\|Squalene synthase]]
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Squalene synthase]]~~	+	[[Category: Chan HC]]
-	[[Category: Chan~~, H C~~]]	+	[[Category: Chen CC]]
-	[[Category: Chen~~, C C~~]]	+	[[Category: Guo RT]]
-	[[Category: Guo~~, R T~~]]	+	[[Category: Huang CH]]
-	[[Category: Huang~~, C H~~]]	+	[[Category: Ko TP]]
-	[[Category: Ko~~, T P~~]]	+	[[Category: Li Q]]
-	[[Category: Li, Q]]	+	[[Category: Ren F]]
-	[[Category: Ren, F]]	+	[[Category: Shang N]]
-	[[Category: Shang, N]]	+	[[Category: Zheng Y]]
-	[[Category: Zheng, Y]]	+	[[Category: Zhu Z]]
-	[[Category: Zhu, Z]]	+
-	~~[[Category: Drug discovery]]~~	+
-	~~[[Category: Er119884]]~~	+
-	~~[[Category: Human squalene synthase]]~~	+
-	~~[[Category: Isoprenoid]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 05:31, 3 August 2022

OCA — Wed, 03 Aug 2022 05:31:35 GMT

←Older revision		Revision as of 05:31, 3 August 2022
Line 1:		Line 1:

	==The complex structure of HsSQS wtih ligand, ER119884==		==The complex structure of HsSQS wtih ligand, ER119884==
-	<StructureSection load='3wcm' size='340' side='right' caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>	+	<StructureSection load='3wcm' size='340' side='right'caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3WCM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WCM FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FDFT1 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FDFT1 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [~~http~~://pdbe.org/3wcm PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm 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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [https://pdbe.org/3wcm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [https://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Squalene synthase]]		[[Category: Squalene synthase]]
	[[Category: Chan, H C]]		[[Category: Chan, H C]]

OCA at 09:14, 21 February 2019

OCA — Thu, 21 Feb 2019 09:14:46 GMT

←Older revision		Revision as of 09:14, 21 February 2019
Line 3:		Line 3:
	<StructureSection load='3wcm' size='340' side='right' caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='3wcm' size='340' side='right' caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WCM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WCM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FDFT1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://pdbe.org/3wcm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm 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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://pdbe.org/3wcm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm ProSAT]</span></td></tr>
Line 25:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Squalene synthase]]		[[Category: Squalene synthase]]
	[[Category: Chan, H C]]		[[Category: Chan, H C]]

OCA at 08:24, 11 August 2016

OCA — Thu, 11 Aug 2016 08:24:34 GMT

←Older revision		Revision as of 08:24, 11 August 2016
Line 1:		Line 1:
		+
	==The complex structure of HsSQS wtih ligand, ER119884==		==The complex structure of HsSQS wtih ligand, ER119884==
	<StructureSection load='3wcm' size='340' side='right' caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>		<StructureSection load='3wcm' size='340' side='right' caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm 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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://pdbe.org/3wcm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wcm ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 16:		Line 17:
	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 3wcm" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Squalene synthase\|Squalene synthase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:33, 4 January 2015

OCA — Sun, 04 Jan 2015 10:33:33 GMT

←Older revision		Revision as of 10:33, 4 January 2015
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WCM FirstGlance]. <br>		<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WCM FirstGlance]. <br>
-	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene><br>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene></td></tr>
-	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>
-	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </span></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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm 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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm 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 21:		Line 21:
	</StructureSection>		</StructureSection>
	[[Category: Squalene synthase]]		[[Category: Squalene synthase]]
-	[[Category: Chan, H C.]]	+	[[Category: Chan, H C]]
-	[[Category: Chen, C C.]]	+	[[Category: Chen, C C]]
-	[[Category: Guo, R T.]]	+	[[Category: Guo, R T]]
-	[[Category: Huang, C H.]]	+	[[Category: Huang, C H]]
-	[[Category: Ko, T P.]]	+	[[Category: Ko, T P]]
-	[[Category: Li, Q.]]	+	[[Category: Li, Q]]
-	[[Category: Ren, F.]]	+	[[Category: Ren, F]]
-	[[Category: Shang, N.]]	+	[[Category: Shang, N]]
-	[[Category: Zheng, Y.]]	+	[[Category: Zheng, Y]]
-	[[Category: Zhu, Z.]]	+	[[Category: Zhu, Z]]
	[[Category: Drug discovery]]		[[Category: Drug discovery]]
	[[Category: Er119884]]		[[Category: Er119884]]

OCA at 07:50, 18 June 2014

OCA — Wed, 18 Jun 2014 07:50:02 GMT

←Older revision		Revision as of 07:50, 18 June 2014
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==The complex structure of HsSQS wtih ligand, ER119884==
		+	<StructureSection load='3wcm' size='340' side='right' caption='[[3wcm]], [[Resolution\|resolution]] 2.06Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3wcm]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WCM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WCM FirstGlance]. <br>
		+	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ER4:(3R)-3-{[2-BENZYL-6-(3-METHOXYPROPOXY)PYRIDIN-3-YL]ETHYNYL}-1-AZABICYCLO[2.2.2]OCTAN-3-OL'>ER4</scene><br>
		+	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wc9\|3wc9]], [[3wca\|3wca]], [[3wcb\|3wcb]], [[3wcc\|3wcc]], [[3wcd\|3wcd]], [[3wce\|3wce]], [[3wcf\|3wcf]], [[3wcg\|3wcg]], [[3wch\|3wch]], [[3wci\|3wci]], [[3wcj\|3wcj]], [[3wcl\|3wcl]]</td></tr>
		+	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Squalene_synthase Squalene synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.21 2.5.1.21] </span></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=3wcm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wcm OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wcm RCSB], [http://www.ebi.ac.uk/pdbsum/3wcm PDBsum]</span></td></tr>
		+	<table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Trypanosomatid parasites are the causative agents of many neglected tropical diseases and there is currently considerable interest in targeting endogenous sterol biosynthesis in these organisms as a route to the development of novel anti-infective drugs. Here, we report the first x-ray crystallographic structures of the enzyme squalene synthase (SQS) from a trypanosomatid parasite, Trypanosoma cruzi, the causative agent of Chagas disease. We obtained five structures of T. cruzi SQS and eight structures of human SQS with four classes of inhibitors: the substrate-analog S-thiolo-farnesyl diphosphate, the quinuclidines E5700 and ER119884, several lipophilic bisphosphonates, and the thiocyanate WC-9, with the structures of the two very potent quinuclidines suggesting strategies for selective inhibitor development. We also show that the lipophilic bisphosphonates have low nM activity against T. cruzi and inhibit endogenous sterol biosynthesis and that E5700 acts synergistically with the azole drug, posaconazole. The determination of the structures of trypanosomatid and human SQS enzymes with a diverse set of inhibitors active in cells provides insights into SQS inhibition, of interest in the context of the development of drugs against Chagas disease.

-	~~The entry 3wcm is ON HOLD until Paper Publication~~	+	Squalene synthase as a target for Chagas disease therapeutics.,Shang N, Li Q, Ko TP, Chan HC, Li J, Zheng Y, Huang CH, Ren F, Chen CC, Zhu Z, Galizzi M, Li ZH, Rodrigues-Poveda CA, Gonzalez-Pacanowska D, Veiga-Santos P, de Carvalho TM, de Souza W, Urbina JA, Wang AH, Docampo R, Li K, Liu YL, Oldfield E, Guo RT PLoS Pathog. 2014 May 1;10(5):e1004114. doi: 10.1371/journal.ppat.1004114., eCollection 2014 May. PMID:24789335<ref>PMID:24789335</ref>

-	~~Authors: Shang~~, N.~~, Li, Q~~.~~, Ko, T.P~~., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z.~~, Chen, C.C., Guo, R.T.~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~The complex structure of HsSQS wtih ligand, ER119884~~	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Squalene synthase]]
		+	[[Category: Chan, H C.]]
		+	[[Category: Chen, C C.]]
		+	[[Category: Guo, R T.]]
		+	[[Category: Huang, C H.]]
		+	[[Category: Ko, T P.]]
		+	[[Category: Li, Q.]]
		+	[[Category: Ren, F.]]
		+	[[Category: Shang, N.]]
		+	[[Category: Zheng, Y.]]
		+	[[Category: Zhu, Z.]]
		+	[[Category: Drug discovery]]
		+	[[Category: Er119884]]
		+	[[Category: Human squalene synthase]]
		+	[[Category: Isoprenoid]]
		+	[[Category: Transferase]]

OCA at 04:39, 18 July 2013

OCA — Thu, 18 Jul 2013 04:39:51 GMT

←Older revision		Revision as of 04:39, 18 July 2013
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3wcm is ON HOLD	+	The entry 3wcm is ON HOLD until Paper Publication

-	Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., ~~Oldfield~~, E., Guo, R.T.	+	Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Ren, F., Zheng, Y., Zhu, Z., Chen, C.C., Guo, R.T.

	Description: The complex structure of HsSQS wtih ligand, ER119884		Description: The complex structure of HsSQS wtih ligand, ER119884

OCA at 08:23, 30 June 2013

OCA — Sun, 30 Jun 2013 08:23:23 GMT

←Older revision		Revision as of 08:23, 30 June 2013
Line 5:		Line 5:
	Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Oldfield, E., Guo, R.T.		Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Oldfield, E., Guo, R.T.

-	Description: The complex structure of HsSQS wtih ligand,ER119884	+	Description: The complex structure of HsSQS wtih ligand, ER119884

OCA: Protected "3wcm" [edit=sysop:move=sysop]

OCA — Wed, 19 Jun 2013 10:40:30 GMT

Protected "3wcm" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:40, 19 June 2013

OCA: New page: '''Unreleased structure''' The entry 3wcm is ON HOLD Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Oldfield, E., Guo, R.T. Description: The complex structure of HsSQS ...

OCA — Wed, 19 Jun 2013 10:40:29 GMT

New page: '''Unreleased structure''' The entry 3wcm is ON HOLD Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Oldfield, E., Guo, R.T. Description: The complex structure of HsSQS ...

New page

'''Unreleased structure'''

The entry 3wcm is ON HOLD

Authors: Shang, N., Li, Q., Ko, T.P., Chan, H.C., Huang, C.H., Oldfield, E., Guo, R.T.

Description: The complex structure of HsSQS wtih ligand,ER119884