5xmv - Revision history

OCA at 08:06, 22 November 2023

OCA — Wed, 22 Nov 2023 08:06:25 GMT

←Older revision		Revision as of 08:06, 22 November 2023
Line 3:		Line 3:
	<StructureSection load='5xmv' size='340' side='right'caption='[[5xmv]], [[Resolution\|resolution]] 2.16Å' scene=''>		<StructureSection load='5xmv' size='340' side='right'caption='[[5xmv]], [[Resolution\|resolution]] 2.16Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5xmv]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XMV OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5XMV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5xmv]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_vivax Plasmodium vivax]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XMV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5XMV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8AU:(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile'>8AU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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]] 2.16Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycine_hydroxymethyltransferase Glycine hydroxymethyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.2.1 2.1.2.1] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8AU:(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-+carbonitrile'>8AU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=5xmv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xmv OCA], [~~http~~://pdbe.org/5xmv PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5xmv RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5xmv PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5xmv 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=5xmv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xmv OCA], [https://pdbe.org/5xmv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5xmv RCSB], [https://www.ebi.ac.uk/pdbsum/5xmv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5xmv 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/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Glycine hydroxymethyltransferase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chitnumsub, P]]	+	[[Category: Plasmodium vivax]]
-	[[Category: Diederich, F]]	+	[[Category: Chitnumsub P]]
-	[[Category: Jaruwat, A]]	+	[[Category: Diederich F]]
-	[[Category: Leartsakulpanich, U]]	+	[[Category: Jaruwat A]]
-	[[Category: Schwertz, G]]	+	[[Category: Leartsakulpanich U]]
-	~~[[Category: Alpha and beta protein]]~~	+	[[Category: Schwertz G]]
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Methyltransferase activity]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 06:54, 14 October 2020

OCA — Wed, 14 Oct 2020 06:54:46 GMT

←Older revision		Revision as of 06:54, 14 October 2020
Line 1:		Line 1:

	==Plasmodium vivax SHMT bound with PLP-glycine and GS362==		==Plasmodium vivax SHMT bound with PLP-glycine and GS362==
-	<StructureSection load='5xmv' size='340' side='right' caption='[[5xmv]], [[Resolution\|resolution]] 2.16Å' scene=''>	+	<StructureSection load='5xmv' size='340' side='right'caption='[[5xmv]], [[Resolution\|resolution]] 2.16Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5xmv]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XMV OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5XMV FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5xmv]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XMV OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5XMV FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8AU:(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile'>8AU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=8AU:(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile'>8AU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycine_hydroxymethyltransferase Glycine hydroxymethyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.2.1 2.1.2.1] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycine_hydroxymethyltransferase Glycine hydroxymethyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.2.1 2.1.2.1] </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=5xmv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xmv OCA], [http://pdbe.org/5xmv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xmv RCSB], [http://www.ebi.ac.uk/pdbsum/5xmv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xmv 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=5xmv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xmv OCA], [http://pdbe.org/5xmv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xmv RCSB], [http://www.ebi.ac.uk/pdbsum/5xmv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xmv 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 5xmv" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5xmv" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Serine hydroxymethyltransferase\|Serine hydroxymethyltransferase]]
	== References ==		== References ==
	<references/>		<references/>
Line 22:		Line 25:
	</StructureSection>		</StructureSection>
	[[Category: Glycine hydroxymethyltransferase]]		[[Category: Glycine hydroxymethyltransferase]]
		+	[[Category: Large Structures]]
	[[Category: Chitnumsub, P]]		[[Category: Chitnumsub, P]]
	[[Category: Diederich, F]]		[[Category: Diederich, F]]

OCA at 06:13, 29 November 2017

OCA — Wed, 29 Nov 2017 06:13:25 GMT

←Older revision		Revision as of 06:13, 29 November 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5xmv is ~~ON HOLD until Paper~~ Publication	+	==Plasmodium vivax SHMT bound with PLP-glycine and GS362==
		+	<StructureSection load='5xmv' size='340' side='right' caption='[[5xmv]], [[Resolution\|resolution]] 2.16Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5xmv]] is a 3 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5XMV OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5XMV FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8AU:(4~{S})-6-azanyl-4-[3-(2-chlorophenyl)-5-(trifluoromethyl)phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile'>8AU</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=PLG:N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]'>PLG</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glycine_hydroxymethyltransferase Glycine hydroxymethyltransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.2.1 2.1.2.1] </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=5xmv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5xmv OCA], [http://pdbe.org/5xmv PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5xmv RCSB], [http://www.ebi.ac.uk/pdbsum/5xmv PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5xmv ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Malaria remains a major threat to mankind due to the perpetual emergence of resistance against marketed drugs. Twenty-one pyrazolopyran-based inhibitors bearing terminal biphenyl, aryl sulfonamide, or aryl sulfone motifs were synthesized and tested towards serine hydroxymethyltransferase (SHMT), a key enzyme of the folate cycle. The best ligands inhibited Plasmodium falciparum (Pf) and Arabidopsis thaliana (At) SHMT in target, as well as PfNF54 strains in cell-based assays in the low nanomolar range (18-56 nm). Seven co-crystal structures with P. vivax (Pv) SHMT were solved at 2.2-2.6 A resolution. We observed an unprecedented influence of the torsion angle of ortho-substituted biphenyl moieties on cell-based efficacy. The peculiar lipophilic character of the sulfonyl moiety was highlighted in the complexes with aryl sulfonamide analogues, which bind in their preferred staggered orientation. The results are discussed within the context of conformational preferences in the ligands.

-	~~Authors~~: ~~Chitnumsub~~, P., Jaruwat, A., ~~Leartsakulpanich~~, U., ~~Schwertz~~, G., Diederich, F.	+	Conformational Aspects in the Design of Inhibitors for Serine Hydroxymethyltransferase (SHMT): Biphenyl, Aryl Sulfonamide, and Aryl Sulfone Motifs.,Schwertz G, Frei MS, Witschel MC, Rottmann M, Leartsakulpanich U, Chitnumsub P, Jaruwat A, Ittarat W, Schafer A, Aponte RA, Trapp N, Mark K, Chaiyen P, Diederich F Chemistry. 2017 Oct 12;23(57):14345-14357. doi: 10.1002/chem.201703244. Epub 2017, Oct 2. PMID:28967982<ref>PMID:28967982</ref>

-	~~Description: Plasmodium vivax SHMT bound with PLP~~-~~glycine and GS362~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5xmv" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Glycine hydroxymethyltransferase]]
		+	[[Category: Chitnumsub, P]]
		+	[[Category: Diederich, F]]
	[[Category: Jaruwat, A]]		[[Category: Jaruwat, A]]
	[[Category: Leartsakulpanich, U]]		[[Category: Leartsakulpanich, U]]
	[[Category: Schwertz, G]]		[[Category: Schwertz, G]]
-	[[Category: ~~Chitnumsub, P~~]]	+	[[Category: Alpha and beta protein]]
-	[[Category: ~~Diederich, F~~]]	+	[[Category: Inhibitor]]
		+	[[Category: Methyltransferase activity]]
		+	[[Category: Transferase]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 15:35, 27 September 2017

OCA — Wed, 27 Sep 2017 15:35:05 GMT

←Older revision		Revision as of 15:35, 27 September 2017
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G., Diederich, F.		Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G., Diederich, F.
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: Diederich, F]]
	[[Category: Schwertz, G]]		[[Category: Schwertz, G]]
		+	[[Category: Chitnumsub, P]]
		+	[[Category: Diederich, F]]

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

OCA — Wed, 24 May 2017 12:40:54 GMT

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

←Older revision

Revision as of 12:40, 24 May 2017

OCA: New page: '''Unreleased structure''' The entry 5xmv is ON HOLD Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G., Diederich, F. Description: Plasmodium vivax SHMT bound wi...

OCA — Wed, 24 May 2017 12:40:52 GMT

New page: '''Unreleased structure''' The entry 5xmv is ON HOLD Authors: Chitnumsub, P., Jaruwat, A., Leartsakulpanich, U., Schwertz, G., Diederich, F. Description: Plasmodium vivax SHMT bound wi...

New page

'''Unreleased structure'''

The entry 5xmv is ON HOLD

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

Description: Plasmodium vivax SHMT bound with PLP-glycine and GS362
[[Category: Unreleased Structures]]
[[Category: Jaruwat, A]]
[[Category: Chitnumsub, P]]
[[Category: Leartsakulpanich, U]]
[[Category: Diederich, F]]
[[Category: Schwertz, G]]