6r8h - Revision history

OCA at 12:17, 24 January 2024

OCA — Wed, 24 Jan 2024 12:17:05 GMT

←Older revision		Revision as of 12:17, 24 January 2024
Line 3:		Line 3:
	<StructureSection load='6r8h' size='340' side='right'caption='[[6r8h]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='6r8h' size='340' side='right'caption='[[6r8h]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6r8h]] is a 6 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Fashe Fashe~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R8H OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6R8H FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6r8h]] is a 6 chain structure with sequence from [https://en.wikipedia.org/wiki/Fasciola_hepatica Fasciola hepatica]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R8H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6R8H FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat"~~><scene name~~=~~'pdbligand=SO4:SULFATE+ION'>SO4</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]] 1.9Å</td></tr>
-	<tr id='~~activity~~'><td class="sblockLbl"><b>~~Activity~~:</b></td><td class="sblockDat"><~~span class~~='~~plainlinks~~'>~~[http://en.wikipedia.org/wiki/Triose-phosphate_isomerase Triose-phosphate isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.1.1 5.3.1.1]~~ </~~span~~></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=6r8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r8h OCA], [~~http~~://pdbe.org/6r8h PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6r8h RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6r8h PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6r8h 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=6r8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r8h OCA], [https://pdbe.org/6r8h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6r8h RCSB], [https://www.ebi.ac.uk/pdbsum/6r8h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6r8h ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/S4UI50_FASHE S4UI50_FASHE]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 17:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6r8h" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6r8h" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Triose phosphate isomerase 3D structures\|Triose phosphate isomerase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Fashe]]
-	[[Category: Large Structures]]
-	[[Category: Triose-phosphate isomerase]]
-	[[Category: Alvarez, G]]
-	[[Category: Bergalli, L]]
-	[[Category: Cabrera, M]]
-	[[Category: Caffrey, C]]
-	[[Category: Corvo, I]]
-	[[Category: Ferraro, F]]
-	[[Category: Gil, J]]
-	[[Category: Guillon, C]]
-	[[Category: Ilarraz, A]]
-	[[Category: Robert, X]]
-	[[Category: Susuki, B]]
-	[[Category: Timson, D J]]
	[[Category: Fasciola hepatica]]		[[Category: Fasciola hepatica]]
-	[[Category: ~~Isomerase~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Tim~~]]	+	[[Category: Alvarez G]]
-	[[Category: ~~Triose phosphate isomerase~~]]	+	[[Category: Bergalli L]]
		+	[[Category: Cabrera M]]
		+	[[Category: Caffrey C]]
		+	[[Category: Corvo I]]
		+	[[Category: Ferraro F]]
		+	[[Category: Gil J]]
		+	[[Category: Guillon C]]
		+	[[Category: Ilarraz A]]
		+	[[Category: Robert X]]
		+	[[Category: Susuki B]]
		+	[[Category: Timson DJ]]

OCA at 10:28, 26 February 2020

OCA — Wed, 26 Feb 2020 10:28:58 GMT

←Older revision		Revision as of 10:28, 26 February 2020
Line 3:		Line 3:
	<StructureSection load='6r8h' size='340' side='right'caption='[[6r8h]], [[Resolution\|resolution]] 1.90Å' scene=''>		<StructureSection load='6r8h' size='340' side='right'caption='[[6r8h]], [[Resolution\|resolution]] 1.90Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6r8h]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R8H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6R8H FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6r8h]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Fashe Fashe]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R8H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6R8H FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Triose-phosphate_isomerase Triose-phosphate isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.1.1 5.3.1.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Triose-phosphate_isomerase Triose-phosphate isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.1.1 5.3.1.1] </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=6r8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r8h OCA], [http://pdbe.org/6r8h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6r8h RCSB], [http://www.ebi.ac.uk/pdbsum/6r8h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6r8h 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=6r8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r8h OCA], [http://pdbe.org/6r8h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6r8h RCSB], [http://www.ebi.ac.uk/pdbsum/6r8h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6r8h ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Trematode infections such as schistosomiasis and fascioliasis cause significant morbidity in an estimated 250 million people worldwide and the associated agricultural losses are estimated at more than US$ 6 billion per year. Current chemotherapy is limited. Triosephosphate isomerase (TIM), an enzyme of the glycolytic pathway, has emerged as a useful drug target in many parasites, including Fasciola hepatica TIM (FhTIM). We identified 21 novel compounds that selectively inhibit this enzyme. Using microscale thermophoresis we explored the interaction between target and compounds and identified a potent interaction between the sulfonyl-1,2,4-thiadiazole (compound 187) and FhTIM, which showed an IC50 of 5 microM and a Kd of 66 nM. In only 4 hours, this compound killed the juvenile form of F. hepatica with an IC50 of 3 microM, better than the reference drug triclabendazole (TCZ). Interestingly, we discovered in vitro inhibition of FhTIM by TCZ, with an IC50 of 7 microM suggesting a previously uncharacterized role of FhTIM in the mechanism of action of this drug. Compound 187 was also active against various developmental stages of Schistosoma mansoni. The low toxicity in vitro in different cell types and lack of acute toxicity in mice was demonstrated for this compound, as was demonstrated the efficacy of 187 in vivo in F. hepatica infected mice. Finally, we obtained the first crystal structure of FhTIM at 1.9 A resolution which allows us using docking to suggest a mechanism of interaction between compound 187 and TIM. In conclusion, we describe a promising drug candidate to control neglected trematode infections in human and animal health.
		+
		+	Novel and selective inactivators of Triosephosphate isomerase with anti-trematode activity.,Ferraro F, Corvo I, Bergalli L, Ilarraz A, Cabrera M, Gil J, Susuki BM, Caffrey CR, Timson DJ, Robert X, Guillon C, Freire T, Alvarez G Sci Rep. 2020 Feb 13;10(1):2587. doi: 10.1038/s41598-020-59460-y. PMID:32054976<ref>PMID:32054976</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6r8h" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Fashe]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Triose-phosphate isomerase]]		[[Category: Triose-phosphate isomerase]]

OCA at 04:22, 13 February 2020

OCA — Thu, 13 Feb 2020 04:22:16 GMT

←Older revision		Revision as of 04:22, 13 February 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6r8h is ~~ON HOLD until Paper Publication~~	+	==Triosephosphate isomerase from liver fluke (Fasciola hepatica).==
-		+	<StructureSection load='6r8h' size='340' side='right'caption='[[6r8h]], [[Resolution\|resolution]] 1.90Å' scene=''>
-	~~Authors~~: ~~Ferraro, F~~.~~, Corvo, I~~., ~~Bergalli, L~~.~~, Ilarraz, A~~.~~, Cabrera, M~~.~~, Gil, J~~.~~, Susuki, B~~.~~, Caffrey, C~~., ~~Timson, D~~.J., ~~Robert, X~~., ~~Guillon, C~~., ~~Alvarez~~, G.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[6r8h]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6R8H OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6R8H FirstGlance]. <br>
-	~~Description~~: ~~Triosephosphate~~ isomerase ~~from liver fluke (Fasciola hepatica).~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Triose-phosphate_isomerase Triose-phosphate isomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=5.3.1.1 5.3.1.1] </span></td></tr>
-	[[Category: ~~Guillon~~, C]]	+	<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=6r8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6r8h OCA], [http://pdbe.org/6r8h PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6r8h RCSB], [http://www.ebi.ac.uk/pdbsum/6r8h PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6r8h ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Triose-phosphate isomerase]]
		+	[[Category: Alvarez, G]]
		+	[[Category: Bergalli, L]]
		+	[[Category: Cabrera, M]]
		+	[[Category: Caffrey, C]]
		+	[[Category: Corvo, I]]
	[[Category: Ferraro, F]]		[[Category: Ferraro, F]]
-	[[Category: Alvarez, G]]
	[[Category: Gil, J]]		[[Category: Gil, J]]
-	[[Category: ~~Cabrera~~, M]]	+	[[Category: Guillon, C]]
	[[Category: Ilarraz, A]]		[[Category: Ilarraz, A]]
-	[[Category: ~~Timson~~, ~~D.J~~]]	+	[[Category: Robert, X]]
	[[Category: Susuki, B]]		[[Category: Susuki, B]]
-	[[Category: ~~Caffrey~~, C]]	+	[[Category: Timson, D J]]
-	[[Category: ~~Robert, X~~]]	+	[[Category: Fasciola hepatica]]
-	[[Category: ~~Bergalli, L~~]]	+	[[Category: Isomerase]]
-	[[Category: ~~Corvo, I~~]]	+	[[Category: Tim]]
		+	[[Category: Triose phosphate isomerase]]

OCA: Protected "6r8h" [edit=sysop:move=sysop]

OCA — Wed, 10 Apr 2019 05:42:56 GMT

Protected "6r8h" [edit=sysop:move=sysop]

←Older revision

Revision as of 05:42, 10 April 2019

OCA: New page: '''Unreleased structure''' The entry 6r8h is ON HOLD until Paper Publication Authors: Ferraro, F., Corvo, I., Bergalli, L., Ilarraz, A., Cabrera, M., Gil, J., Susuki, B., Caffrey, C., T...

OCA — Wed, 10 Apr 2019 05:42:54 GMT

New page: '''Unreleased structure''' The entry 6r8h is ON HOLD until Paper Publication Authors: Ferraro, F., Corvo, I., Bergalli, L., Ilarraz, A., Cabrera, M., Gil, J., Susuki, B., Caffrey, C., T...

New page

'''Unreleased structure'''

The entry 6r8h is ON HOLD until Paper Publication

Authors: Ferraro, F., Corvo, I., Bergalli, L., Ilarraz, A., Cabrera, M., Gil, J., Susuki, B., Caffrey, C., Timson, D.J., Robert, X., Guillon, C., Alvarez, G.

Description: Triosephosphate isomerase from liver fluke (Fasciola hepatica).
[[Category: Unreleased Structures]]
[[Category: Guillon, C]]
[[Category: Ferraro, F]]
[[Category: Alvarez, G]]
[[Category: Gil, J]]
[[Category: Cabrera, M]]
[[Category: Ilarraz, A]]
[[Category: Timson, D.J]]
[[Category: Susuki, B]]
[[Category: Caffrey, C]]
[[Category: Robert, X]]
[[Category: Bergalli, L]]
[[Category: Corvo, I]]