5gvn - Revision history

OCA at 11:43, 2 August 2023

OCA — Wed, 02 Aug 2023 11:43:52 GMT

←Older revision		Revision as of 11:43, 2 August 2023
Line 3:		Line 3:
	<StructureSection load='5gvn' size='340' side='right'caption='[[5gvn]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='5gvn' size='340' side='right'caption='[[5gvn]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5gvn]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5GVN OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5GVN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5gvn]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_vivax_Sal-1 Plasmodium vivax Sal-1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5GVN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5GVN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G6F:3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic+acid'>G6F</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</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]] 2.3Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5gvp\|5gvp]], [[5gvm\|5gvm]], [[5gvl\|5gvl]], [[5gvk\|5gvk]]~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G6F:3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic+acid'>G6F</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene></td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=5gvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5gvn OCA], [~~http~~://pdbe.org/5gvn PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5gvn RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5gvn PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5gvn 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=5gvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5gvn OCA], [https://pdbe.org/5gvn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5gvn RCSB], [https://www.ebi.ac.uk/pdbsum/5gvn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5gvn ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A5K8L9_PLAVS A5K8L9_PLAVS]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 19:		Line 21:

	==See Also==		==See Also==
-	*[[Serine hydroxymethyltransferase\|Serine hydroxymethyltransferase]]	+	*[[Serine hydroxymethyltransferase 3D structures\|Serine hydroxymethyltransferase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chitnumsub, P]]	+	[[Category: Plasmodium vivax Sal-1]]
-	[[Category: Jaruwat, A]]	+	[[Category: Chitnumsub P]]
-	[[Category: Leartsakulpanich, U]]	+	[[Category: Jaruwat A]]
-	[[Category: Schwertz, G]]	+	[[Category: Leartsakulpanich U]]
-	~~[[Category: Alpha and beta protein]]~~	+	[[Category: Schwertz G]]
-	~~[[Category: Methyltransferase activity]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 06:44, 20 May 2020

OCA — Wed, 20 May 2020 06:44:25 GMT

←Older revision		Revision as of 06:44, 20 May 2020
Line 1:		Line 1:

	==Plasmodium vivax SHMT bound with PLP-glycine and GS653==		==Plasmodium vivax SHMT bound with PLP-glycine and GS653==
-	<StructureSection load='5gvn' size='340' side='right' caption='[[5gvn]], [[Resolution\|resolution]] 2.30Å' scene=''>	+	<StructureSection load='5gvn' size='340' side='right'caption='[[5gvn]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5gvn]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5GVN OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5GVN FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5gvn]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5GVN OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5GVN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G6F:3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic+acid'>G6F</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G6F:3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic+acid'>G6F</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5gvp\|5gvp]], [[5gvm\|5gvm]], [[5gvl\|5gvl]], [[5gvk\|5gvk]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5gvp\|5gvp]], [[5gvm\|5gvm]], [[5gvl\|5gvl]], [[5gvk\|5gvk]]</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=5gvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5gvn OCA], [http://pdbe.org/5gvn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5gvn RCSB], [http://www.ebi.ac.uk/pdbsum/5gvn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5gvn ProSAT]</span></td></tr>	+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5gvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5gvn OCA], [http://pdbe.org/5gvn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5gvn RCSB], [http://www.ebi.ac.uk/pdbsum/5gvn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5gvn ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 17:		Line 17:
	</div>		</div>
	<div class="pdbe-citations 5gvn" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5gvn" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine hydroxymethyltransferase\|Serine hydroxymethyltransferase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Chitnumsub, P]]		[[Category: Chitnumsub, P]]
	[[Category: Jaruwat, A]]		[[Category: Jaruwat, A]]

OCA at 10:24, 10 September 2017

OCA — Sun, 10 Sep 2017 10:24:54 GMT

←Older revision		Revision as of 10:24, 10 September 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5gvn is ~~ON HOLD until Paper~~ Publication	+	==Plasmodium vivax SHMT bound with PLP-glycine and GS653==
		+	<StructureSection load='5gvn' size='340' side='right' caption='[[5gvn]], [[Resolution\|resolution]] 2.30Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5gvn]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5GVN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5GVN FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=G6F:3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]phenyl]propanoic+acid'>G6F</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5gvp\|5gvp]], [[5gvm\|5gvm]], [[5gvl\|5gvl]], [[5gvk\|5gvk]]</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=5gvn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5gvn OCA], [http://pdbe.org/5gvn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5gvn RCSB], [http://www.ebi.ac.uk/pdbsum/5gvn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5gvn ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Target-based approaches toward new antimalarial treatments are highly valuable to prevent resistance development. We report several series of pyrazolopyran-based inhibitors targeting the enzyme serine hydroxymethyltransferase (SHMT), designed to improve microsomal metabolic stability and to identify suitable candidates for in vivo efficacy evaluation. The best ligands inhibited Plasmodium falciparum (Pf) and Arabidopsis thaliana (At) SHMT in target assays and PfNF54 strains in cell-based assays with values in the low nanomolar range (3.2-55 nM). A set of carboxylate derivatives demonstrated markedly improved in vitro metabolic stability (t1/2 > 2 h). A selected ligand showed significant in vivo efficacy with 73% of parasitemia reduction in a mouse model. Five new cocrystal structures with PvSHMT were solved at 2.3-2.6 A resolution, revealing a unique water-mediated interaction with Tyr63 at the end of the para-aminobenzoate channel. They also displayed the high degree of conformational flexibility of the Cys364-loop lining this channel.

-	~~Authors: Chitnumsub~~, P., Jaruwat, A., ~~Leartsakulpanich~~, U., ~~Schwertz~~, G.	+	Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures.,Schwertz G, Witschel MC, Rottmann M, Bonnert R, Leartsakulpanich U, Chitnumsub P, Jaruwat A, Ittarat W, Schafer A, Aponte RA, Charman SA, White KL, Kundu A, Sadhukhan S, Lloyd M, Freiberg GM, Srikumaran M, Siggel M, Zwyssig A, Chaiyen P, Diederich F J Med Chem. 2017 Jun 22;60(12):4840-4860. doi: 10.1021/acs.jmedchem.7b00008. Epub, 2017 Jun 13. PMID:28537728<ref>PMID:28537728</ref>

-	~~Description: Plasmodium vivax SHMT bound with PLP-glycine and GS653~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category: Unreleased Structures]]~~	+	</div>
-	~~[[Category~~: ~~Jaruwat, A]]~~	+	<div class="pdbe-citations 5gvn" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Chitnumsub, P]]		[[Category: Chitnumsub, P]]
		+	[[Category: Jaruwat, A]]
	[[Category: Leartsakulpanich, U]]		[[Category: Leartsakulpanich, U]]
	[[Category: Schwertz, G]]		[[Category: Schwertz, G]]
		+	[[Category: Alpha and beta protein]]
		+	[[Category: Methyltransferase activity]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 09:10, 9 March 2017

OCA — Thu, 09 Mar 2017 09:10:22 GMT

←Older revision		Revision as of 09:10, 9 March 2017
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Jaruwat, A]]		[[Category: Jaruwat, A]]
		+	[[Category: Chitnumsub, P]]
	[[Category: Leartsakulpanich, U]]		[[Category: Leartsakulpanich, U]]
	[[Category: Schwertz, G]]		[[Category: Schwertz, G]]
-	[[Category: Chitnumsub, P]]

OCA at 16:13, 5 October 2016

OCA — Wed, 05 Oct 2016 16:13:09 GMT

←Older revision		Revision as of 16:13, 5 October 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5gvn is ON HOLD	+	The entry 5gvn is ON HOLD until Paper Publication

	Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G.		Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G.

OCA: Protected "5gvn" [edit=sysop:move=sysop]

OCA — Wed, 14 Sep 2016 10:32:13 GMT

Protected "5gvn" [edit=sysop:move=sysop]

←Older revision

Revision as of 10:32, 14 September 2016

OCA: New page: '''Unreleased structure''' The entry 5gvn is ON HOLD Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G. Description: Plasmodium vivax SHMT bound with PLP-glycine ...

OCA — Wed, 14 Sep 2016 10:32:11 GMT

New page: '''Unreleased structure''' The entry 5gvn is ON HOLD Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G. Description: Plasmodium vivax SHMT bound with PLP-glycine ...

New page

'''Unreleased structure'''

The entry 5gvn is ON HOLD

Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G.

Description: Plasmodium vivax SHMT bound with PLP-glycine and GS653
[[Category: Unreleased Structures]]
[[Category: Jaruwat, A]]
[[Category: Leartsakulpanich, U]]
[[Category: Schwertz, G]]
[[Category: Chitnumsub, P]]