5jwa - Revision history

OCA at 19:12, 20 September 2023

OCA — Wed, 20 Sep 2023 19:12:29 GMT

←Older revision		Revision as of 19:12, 20 September 2023
Line 3:		Line 3:
	<StructureSection load='5jwa' size='340' side='right'caption='[[5jwa]], [[Resolution\|resolution]] 2.16Å' scene=''>		<StructureSection load='5jwa' size='340' side='right'caption='[[5jwa]], [[Resolution\|resolution]] 2.16Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5jwa]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Plaf7 Plaf7~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JWA OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5JWA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5jwa]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_3D7 Plasmodium falciparum 3D7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JWA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5JWA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TRT:FRAGMENT+OF+TRITON+X-100'>TRT</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]] 2.162Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5jwc\|5jwc]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TRT:FRAGMENT+OF+TRITON+X-100'>TRT</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFI0735c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</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=5jwa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jwa OCA], [https://pdbe.org/5jwa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5jwa RCSB], [https://www.ebi.ac.uk/pdbsum/5jwa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5jwa ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NADH_dehydrogenase NADH dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.6.99.3 1.6.99.3] </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=5jwa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jwa OCA], [~~http~~://pdbe.org/5jwa PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5jwa RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5jwa PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5jwa ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q8I302_PLAF7 Q8I302_PLAF7]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~NADH dehydrogenase]]~~	+	[[Category: Plasmodium falciparum 3D7]]
-	~~[[Category: Plaf7~~]]	+	[[Category: Ge JP]]
-	[[Category: Ge~~, J P~~]]	+	[[Category: Li J]]
-	[[Category: Li, J]]	+	[[Category: Li XL]]
-	[[Category: Li~~, X L~~]]	+	[[Category: Rao Y]]
-	[[Category: Rao, Y]]	+	[[Category: Yang MJ]]
-	[[Category: Yang~~, M J~~]]	+	[[Category: Yang YQ]]
-	[[Category: Yang~~, Y Q~~]]	+	[[Category: Yu J]]
-	[[Category: Yu, J]]	+	[[Category: Yu Y]]
-	[[Category: Yu, Y]]	+
-	~~[[Category: Fad]]~~	+
-	~~[[Category: Membrane protein-inhibitor complex]]~~	+
-	~~[[Category: Pfndh2~~]]	+

OCA at 11:42, 17 June 2020

OCA — Wed, 17 Jun 2020 11:42:42 GMT

←Older revision		Revision as of 11:42, 17 June 2020
Line 1:		Line 1:

	==the structure of malaria PfNDH2==		==the structure of malaria PfNDH2==
-	<StructureSection load='5jwa' size='340' side='right' caption='[[5jwa]], [[Resolution\|resolution]] 2.16Å' scene=''>	+	<StructureSection load='5jwa' size='340' side='right'caption='[[5jwa]], [[Resolution\|resolution]] 2.16Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5jwa]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JWA OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5JWA FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5jwa]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plaf7 Plaf7]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JWA OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5JWA FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TRT:FRAGMENT+OF+TRITON+X-100'>TRT</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TRT:FRAGMENT+OF+TRITON+X-100'>TRT</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5jwc\|5jwc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5jwc\|5jwc]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PFI0735c ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=36329 PLAF7])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NADH_dehydrogenase NADH dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.6.99.3 1.6.99.3] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NADH_dehydrogenase NADH dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.6.99.3 1.6.99.3] </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=5jwa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jwa OCA], [http://pdbe.org/5jwa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jwa RCSB], [http://www.ebi.ac.uk/pdbsum/5jwa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jwa 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=5jwa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jwa OCA], [http://pdbe.org/5jwa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jwa RCSB], [http://www.ebi.ac.uk/pdbsum/5jwa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jwa ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 22:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: NADH dehydrogenase]]		[[Category: NADH dehydrogenase]]
		+	[[Category: Plaf7]]
	[[Category: Ge, J P]]		[[Category: Ge, J P]]
	[[Category: Li, J]]		[[Category: Li, J]]

OCA at 16:22, 22 March 2017

OCA — Wed, 22 Mar 2017 16:22:14 GMT

←Older revision		Revision as of 16:22, 22 March 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5jwa is ~~ON HOLD until Paper~~ Publication	+	==the structure of malaria PfNDH2==
		+	<StructureSection load='5jwa' size='340' side='right' caption='[[5jwa]], [[Resolution\|resolution]] 2.16Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5jwa]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5JWA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5JWA FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=TRT:FRAGMENT+OF+TRITON+X-100'>TRT</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5jwc\|5jwc]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/NADH_dehydrogenase NADH dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.6.99.3 1.6.99.3] </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=5jwa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5jwa OCA], [http://pdbe.org/5jwa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5jwa RCSB], [http://www.ebi.ac.uk/pdbsum/5jwa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5jwa ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Drug-resistant malarial strains have been continuously emerging recently, which posts a great challenge for the global health. Therefore, new antimalarial drugs with novel targeting mechanisms are urgently needed for fighting drug-resistant malaria. NADH-ubiquinone oxidoreductase of Plasmodium falciparum (PfNDH2) represents a viable target for antimalarial drug development. However, the absence of structural information on PfNDH2 limited rational drug design and further development. Herein, we report high resolution crystal structures of the PfNDH2 protein for the first time in Apo-, NADH-, and RYL-552 (a new inhibitor)-bound states. The PfNDH2 inhibitor exhibits excellent potency against both drug-resistant strains in vitro and parasite-infected mice in vivo via a potential allosteric mechanism. Furthermore, it was found that the inhibitor can be used in combination with dihydroartemisinin (DHA) synergistically. These findings not only are important for malarial PfNDH2 protein-based drug development but could also have broad implications for other NDH2-containing pathogenic microorganisms such as Mycobacterium tuberculosis.

-	~~Authors: Yu, Y~~., Yang, Y~~.Q.~~, Li, X~~.L.~~, Yu, J., Ge, J~~.P.~~, Li, J., Rao, Y., Yang, M.J.	+	Target Elucidation by Cocrystal Structures of NADH-Ubiquinone Oxidoreductase of Plasmodium falciparum (PfNDH2) with Small Molecule To Eliminate Drug-Resistant Malaria.,Yang Y, Yu Y, Li X, Li J, Wu Y, Yu J, Ge J, Huang Z, Jiang L, Rao Y, Yang M J Med Chem. 2017 Mar 9;60(5):1994-2005. doi: 10.1021/acs.jmedchem.6b01733. Epub, 2017 Feb 22. PMID:28195463<ref>PMID:28195463</ref>

-	~~Description:~~ the ~~structure~~ of ~~malaria PfNDH2~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
-	[[Category: ~~Rao, Y~~]]	+	<div class="pdbe-citations 5jwa" style="background-color:#fffaf0;"></div>
-	[[Category: Yu, Y]]	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: NADH dehydrogenase]]
		+	[[Category: Ge, J P]]
	[[Category: Li, J]]		[[Category: Li, J]]
-	[[Category: ~~Yang~~, Y.Q]]	+	[[Category: Li, X L]]
-	[[Category: Ge, J.P]]	+	[[Category: Rao, Y]]
		+	[[Category: Yang, M J]]
		+	[[Category: Yang, Y Q]]
	[[Category: Yu, J]]		[[Category: Yu, J]]
-	[[Category: Li, ~~X.L~~]]	+	[[Category: Yu, Y]]
-	[[Category: ~~Yang, M.J~~]]	+	[[Category: Fad]]
		+	[[Category: Membrane protein-inhibitor complex]]
		+	[[Category: Pfndh2]]

OCA at 10:03, 9 March 2017

OCA — Thu, 09 Mar 2017 10:03:43 GMT

←Older revision		Revision as of 10:03, 9 March 2017
Line 7:		Line 7:
	Description: the structure of malaria PfNDH2		Description: the structure of malaria PfNDH2
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
		+	[[Category: Rao, Y]]
		+	[[Category: Yu, Y]]
	[[Category: Li, J]]		[[Category: Li, J]]
		+	[[Category: Yang, Y.Q]]
	[[Category: Ge, J.P]]		[[Category: Ge, J.P]]
	[[Category: Yu, J]]		[[Category: Yu, J]]
	[[Category: Li, X.L]]		[[Category: Li, X.L]]
	[[Category: Yang, M.J]]		[[Category: Yang, M.J]]
-	[[Category: Rao, Y]]
-	[[Category: Yu, Y]]
-	[[Category: Yang, Y.Q]]

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

OCA — Wed, 01 Jun 2016 13:56:19 GMT

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

←Older revision

Revision as of 13:56, 1 June 2016

OCA: New page: '''Unreleased structure''' The entry 5jwa is ON HOLD until Paper Publication Authors: Yu, Y., Yang, Y.Q., Li, X.L., Yu, J., Ge, J.P., Li, J., Rao, Y., Yang, M.J. Description: the struc...

OCA — Wed, 01 Jun 2016 13:56:17 GMT

New page: '''Unreleased structure''' The entry 5jwa is ON HOLD until Paper Publication Authors: Yu, Y., Yang, Y.Q., Li, X.L., Yu, J., Ge, J.P., Li, J., Rao, Y., Yang, M.J. Description: the struc...

New page

'''Unreleased structure'''

The entry 5jwa is ON HOLD until Paper Publication

Authors: Yu, Y., Yang, Y.Q., Li, X.L., Yu, J., Ge, J.P., Li, J., Rao, Y., Yang, M.J.

Description: the structure of malaria PfNDH2
[[Category: Unreleased Structures]]
[[Category: Li, J]]
[[Category: Ge, J.P]]
[[Category: Yu, J]]
[[Category: Li, X.L]]
[[Category: Yang, M.J]]
[[Category: Rao, Y]]
[[Category: Yu, Y]]
[[Category: Yang, Y.Q]]