5fut - Revision history

OCA at 13:27, 26 July 2023

2023-07-26T13:27:35Z

←Older revision		Revision as of 13:27, 26 July 2023
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	<StructureSection load='5fut' size='340' side='right'caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='5fut' size='340' side='right'caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fut]] is a 1 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=5FUT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5FUT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fut]] is a 1 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=5FUT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5FUT FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PQ7:4-(DIMETHYLAMINO)-1-{4-[4-(4-{[4-(PYRROLIDIN-1-YL)PYRIDINIUM-1-YL]METHYL}PHENYL)BUTYL]BENZYL}PYRIDINIUM'>PQ7</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]] 1.6Å</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=5fut FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fut OCA], [~~http~~://pdbe.org/5fut PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5fut RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5fut PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5fut ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PQ7:4-(DIMETHYLAMINO)-1-{4-[4-(4-{[4-(PYRROLIDIN-1-YL)PYRIDINIUM-1-YL]METHYL}PHENYL)BUTYL]BENZYL}PYRIDINIUM'>PQ7</scene></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=5fut FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fut OCA], [https://pdbe.org/5fut PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5fut RCSB], [https://www.ebi.ac.uk/pdbsum/5fut PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5fut ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/CHKA_HUMAN CHKA_HUMAN]] Has a key role in phospholipid biosynthesis and may contribute to tumor cell growth. Catalyzes the first step in phosphatidylcholine biosynthesis. Contributes to phosphatidylethanolamine biosynthesis. Phosphorylates choline and ethanolamine. Has higher activity with choline.<ref>PMID:19915674</ref>	+	[https://www.uniprot.org/uniprot/CHKA_HUMAN CHKA_HUMAN] Has a key role in phospholipid biosynthesis and may contribute to tumor cell growth. Catalyzes the first step in phosphatidylcholine biosynthesis. Contributes to phosphatidylethanolamine biosynthesis. Phosphorylates choline and ethanolamine. Has higher activity with choline.<ref>PMID:19915674</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Conejo-Garcia, A]]	+	[[Category: Conejo-Garcia A]]
-	[[Category: Denton, H]]	+	[[Category: Denton H]]
-	[[Category: Entrena, A]]	+	[[Category: Entrena A]]
-	[[Category: Hurtado-Guerrero, R]]	+	[[Category: Hurtado-Guerrero R]]
-	[[Category: Izquierdo, L]]	+	[[Category: Izquierdo L]]
-	[[Category: Lopez-Gutierrez, B]]	+	[[Category: Lopez-Gutierrez B]]
-	[[Category: Rubio-Ruiz, B]]	+	[[Category: Rubio-Ruiz B]]
-	[[Category: Serran-Aguilera, L]]	+	[[Category: Serran-Aguilera L]]
-	[[Category: Smith~~, T K]]~~	+	[[Category: Smith TK]]
-	~~[[Category: Choline kinase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Phosphatidyletanolamine]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 06:28, 29 May 2019

2019-05-29T06:28:27Z

←Older revision		Revision as of 06:28, 29 May 2019
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	==Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25)==		==Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25)==
-	<StructureSection load='5fut' size='340' side='right' caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>	+	<StructureSection load='5fut' size='340' side='right'caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5fut]] is a 1 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=5FUT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUT FirstGlance]. <br>		<table><tr><td colspan='2'>[[5fut]] is a 1 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=5FUT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUT FirstGlance]. <br>
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 5fut" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5fut" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Choline kinase 3D structures\|Choline kinase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Conejo-Garcia, A]]		[[Category: Conejo-Garcia, A]]
	[[Category: Denton, H]]		[[Category: Denton, H]]

OCA at 23:05, 15 November 2017

2017-11-15T23:05:04Z

←Older revision		Revision as of 23:05, 15 November 2017
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	<StructureSection load='5fut' size='340' side='right' caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='5fut' size='340' side='right' caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fut]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fut]] is a 1 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=5FUT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PQ7:4-(DIMETHYLAMINO)-1-{4-[4-(4-{[4-(PYRROLIDIN-1-YL)PYRIDINIUM-1-YL]METHYL}PHENYL)BUTYL]BENZYL}PYRIDINIUM'>PQ7</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PQ7:4-(DIMETHYLAMINO)-1-{4-[4-(4-{[4-(PYRROLIDIN-1-YL)PYRIDINIUM-1-YL]METHYL}PHENYL)BUTYL]BENZYL}PYRIDINIUM'>PQ7</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=5fut FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fut OCA], [http://pdbe.org/5fut PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fut RCSB], [http://www.ebi.ac.uk/pdbsum/5fut PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fut 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=5fut FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fut OCA], [http://pdbe.org/5fut PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fut RCSB], [http://www.ebi.ac.uk/pdbsum/5fut PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fut ProSAT]</span></td></tr>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
	[[Category: Conejo-Garcia, A]]		[[Category: Conejo-Garcia, A]]
	[[Category: Denton, H]]		[[Category: Denton, H]]

OCA at 19:34, 9 December 2016

2016-12-09T19:34:51Z

←Older revision		Revision as of 19:34, 9 December 2016
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-	==~~Plasmodium falciparum Choline Kinase Inhibition Leads to a Major Decrease of Phosphatidylethanolamine~~==	+	==Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25)==
	<StructureSection load='5fut' size='340' side='right' caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>		<StructureSection load='5fut' size='340' side='right' caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==

OCA at 13:49, 21 September 2016

2016-09-21T13:49:05Z

←Older revision		Revision as of 13:49, 21 September 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5fut is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==Plasmodium falciparum Choline Kinase Inhibition Leads to a Major Decrease of Phosphatidylethanolamine==
		+	<StructureSection load='5fut' size='340' side='right' caption='[[5fut]], [[Resolution\|resolution]] 1.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5fut]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUT FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=PQ7:4-(DIMETHYLAMINO)-1-{4-[4-(4-{[4-(PYRROLIDIN-1-YL)PYRIDINIUM-1-YL]METHYL}PHENYL)BUTYL]BENZYL}PYRIDINIUM'>PQ7</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=5fut FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fut OCA], [http://pdbe.org/5fut PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fut RCSB], [http://www.ebi.ac.uk/pdbsum/5fut PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fut ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/CHKA_HUMAN CHKA_HUMAN]] Has a key role in phospholipid biosynthesis and may contribute to tumor cell growth. Catalyzes the first step in phosphatidylcholine biosynthesis. Contributes to phosphatidylethanolamine biosynthesis. Phosphorylates choline and ethanolamine. Has higher activity with choline.<ref>PMID:19915674</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Malaria is a life-threatening disease caused by different species of the protozoan parasite Plasmodium, with P. falciparum being the deadliest. Increasing parasitic resistance to existing antimalarials makes the necessity of novel avenues to treat this disease an urgent priority. The enzymes responsible for the synthesis of phosphatidylcholine and phosphatidylethanolamine are attractive drug targets to treat malaria as their selective inhibition leads to an arrest of the parasite's growth and cures malaria in a mouse model. We present here a detailed study that reveals a mode of action for two P. falciparum choline kinase inhibitors both in vitro and in vivo. The compounds present distinct binding modes to the choline/ethanolamine-binding site of P. falciparum choline kinase, reflecting different types of inhibition. Strikingly, these compounds primarily inhibit the ethanolamine kinase activity of the P. falciparum choline kinase, leading to a severe decrease in the phosphatidylethanolamine levels within P. falciparum, which explains the resulting growth phenotype and the parasites death. These studies provide an understanding of the mode of action, and act as a springboard for continued antimalarial development efforts selectively targeting P. falciparum choline kinase.

-	~~Authors:~~ Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., Smith~~, T.K.~~, Conejo-Garcia, A., Hurtado-Guerrero, R.	+	Plasmodium falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death.,Serran-Aguilera L, Denton H, Rubio-Ruiz B, Lopez-Gutierrez B, Entrena A, Izquierdo L, Smith TK, Conejo-Garcia A, Hurtado-Guerrero R Sci Rep. 2016 Sep 12;6:33189. doi: 10.1038/srep33189. PMID:27616047<ref>PMID:27616047</ref>

-	~~Description: Plasmodium falciparum Choline Kinase Inhibition Leads to~~ a ~~Major Decrease~~ of ~~Phosphatidylethanolamine~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5fut" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Conejo-Garcia, A]]
		+	[[Category: Denton, H]]
		+	[[Category: Entrena, A]]
		+	[[Category: Hurtado-Guerrero, R]]
	[[Category: Izquierdo, L]]		[[Category: Izquierdo, L]]
-	[[Category: Rubio-Ruiz, B]]
	[[Category: Lopez-Gutierrez, B]]		[[Category: Lopez-Gutierrez, B]]
-	[[Category: ~~Entrena, A]]~~	+	[[Category: Rubio-Ruiz, B]]
-	~~[[Category: Conejo~~-~~Garcia~~, A]]	+
	[[Category: Serran-Aguilera, L]]		[[Category: Serran-Aguilera, L]]
-	[[Category: ~~Hurtado-Guerrero~~, R]]	+	[[Category: Smith, T K]]
-	[[Category: ~~Denton, H~~]]	+	[[Category: Choline kinase]]
-	[[Category: ~~Smith, T.K~~]]	+	[[Category: Inhibitor]]
		+	[[Category: Phosphatidyletanolamine]]
		+	[[Category: Transferase]]

OCA at 18:24, 23 June 2016

2016-06-23T18:24:35Z

←Older revision		Revision as of 18:24, 23 June 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., Smith, T.K., Conejo-Garcia, A., Hurtado-Guerrero, R.		Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., Smith, T.K., Conejo-Garcia, A., Hurtado-Guerrero, R.

OCA at 10:51, 20 June 2016

2016-06-20T10:51:48Z

←Older revision		Revision as of 10:51, 20 June 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5fut is ON HOLD ~~until Paper Publication~~	+	The entry 5fut is ON HOLD

	Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., Smith, T.K., Conejo-Garcia, A., Hurtado-Guerrero, R.		Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., Smith, T.K., Conejo-Garcia, A., Hurtado-Guerrero, R.

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

2016-02-10T14:56:13Z

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

←Older revision

Revision as of 14:56, 10 February 2016

OCA: New page: '''Unreleased structure''' The entry 5fut is ON HOLD until Paper Publication Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., S...

2016-02-10T14:56:12Z

New page: '''Unreleased structure''' The entry 5fut is ON HOLD until Paper Publication Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., S...

New page

'''Unreleased structure'''

The entry 5fut is ON HOLD until Paper Publication

Authors: Serran-Aguilera, L., Denton, H., Rubio-Ruiz, B., Lopez-Gutierrez, B., Entrena, A., Izquierdo, L., Smith, T.K., Conejo-Garcia, A., Hurtado-Guerrero, R.

Description: Plasmodium falciparum Choline Kinase Inhibition Leads to a Major Decrease of Phosphatidylethanolamine
[[Category: Unreleased Structures]]
[[Category: Izquierdo, L]]
[[Category: Rubio-Ruiz, B]]
[[Category: Lopez-Gutierrez, B]]
[[Category: Entrena, A]]
[[Category: Conejo-Garcia, A]]
[[Category: Serran-Aguilera, L]]
[[Category: Hurtado-Guerrero, R]]
[[Category: Denton, H]]
[[Category: Smith, T.K]]