5fum - Revision history

OCA at 13:27, 26 July 2023

2023-07-26T13:27:20Z

←Older revision		Revision as of 13:27, 26 July 2023
Line 3:		Line 3:
	<StructureSection load='5fum' size='340' side='right'caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='5fum' size='340' side='right'caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Lk3_transgenic_mice Lk3 transgenic mice~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5FUM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5FUM FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</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]] 2.5Å</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</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=5fum FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fum OCA], [~~http~~://pdbe.org/5fum PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5fum RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5fum PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5fum 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=5fum FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fum OCA], [https://pdbe.org/5fum PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5fum RCSB], [https://www.ebi.ac.uk/pdbsum/5fum PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5fum ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.	+	[https://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 26:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Acetylcholinesterase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Lk3 transgenic mice~~]]	+	[[Category: Mus musculus]]
-	[[Category: Ekstrom, F]]	+	[[Category: Ekstrom F]]
-	[[Category: Engdahl, C]]	+	[[Category: Engdahl C]]
-	[[Category: Knutsson, S]]	+	[[Category: Knutsson S]]
-	[[Category: Linusson, A]]	+	[[Category: Linusson A]]
-	~~[[Category: Dengue]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Insecticide]]~~	+
-	~~[[Category: Malaria]]~~	+
-	~~[[Category: Selective]]~~	+
-	~~[[Category: Vector control~~]]	+

OCA at 07:38, 6 May 2020

2020-05-06T07:38:03Z

←Older revision		Revision as of 07:38, 6 May 2020
Line 1:		Line 1:

	==Mus musculus acetylcholinesterase in complex with AL200==		==Mus musculus acetylcholinesterase in complex with AL200==
-	<StructureSection load='5fum' size='340' side='right' caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>	+	<StructureSection load='5fum' size='340' side='right'caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5FUM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5FUM FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </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=5fum FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fum OCA], [http://pdbe.org/5fum PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fum RCSB], [http://www.ebi.ac.uk/pdbsum/5fum PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fum 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=5fum FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fum OCA], [http://pdbe.org/5fum PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fum RCSB], [http://www.ebi.ac.uk/pdbsum/5fum PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fum ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Acetylcholinesterase]]		[[Category: Acetylcholinesterase]]
		+	[[Category: Large Structures]]
	[[Category: Lk3 transgenic mice]]		[[Category: Lk3 transgenic mice]]
	[[Category: Ekstrom, F]]		[[Category: Ekstrom, F]]

OCA at 08:05, 17 January 2018

2018-01-17T08:05:39Z

←Older revision		Revision as of 08:05, 17 January 2018
Line 3:		Line 3:
	<StructureSection load='5fum' size='340' side='right' caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>		<StructureSection load='5fum' size='340' side='right' caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Lk3_transgenic_mice Lk3 transgenic mice]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUM FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</scene></td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </span></td></tr>
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Acetylcholinesterase]]		[[Category: Acetylcholinesterase]]
		+	[[Category: Lk3 transgenic mice]]
	[[Category: Ekstrom, F]]		[[Category: Ekstrom, F]]
	[[Category: Engdahl, C]]		[[Category: Engdahl, C]]

OCA at 14:29, 22 December 2016

2016-12-22T14:29:40Z

←Older revision		Revision as of 14:29, 22 December 2016
Line 19:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 5fum" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5fum" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholinesterase 3D structures\|Acetylcholinesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:49, 21 September 2016

2016-09-21T13:49:03Z

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

-	~~The entry~~ 5fum is ~~ON HOLD until Paper~~ Publication	+	==Mus musculus acetylcholinesterase in complex with AL200==
		+	<StructureSection load='5fum' size='340' side='right' caption='[[5fum]], [[Resolution\|resolution]] 2.50Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5fum]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5FUM OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5FUM FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=PE4:2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL'>PE4</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene>, <scene name='pdbligand=SOF:2-(BIPHENYL-4-YLOXY)-1-[4-(4-ETHYLPIPERAZIN-1-YL)PIPERIDIN-1-YL]ETHANONE'>SOF</scene></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.1.7 3.1.1.7] </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=5fum FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5fum OCA], [http://pdbe.org/5fum PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5fum RCSB], [http://www.ebi.ac.uk/pdbsum/5fum PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5fum ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ACES_MOUSE ACES_MOUSE]] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Vector control of disease-transmitting mosquitoes is increasingly important due to the re-emergence and spread of infections such as malaria and dengue. We have conducted a high throughput screen (HTS) of 17,500 compounds for inhibition of the essential AChE1 enzymes from the mosquitoes Anopheles gambiae and Aedes aegypti. In a differential HTS analysis including the human AChE, several structurally diverse, potent, and selective non-covalent AChE1 inhibitors were discovered. For example, a phenoxyacetamide-based inhibitor was identified with a 100-fold selectivity for the mosquito- over the human enzyme. The compound also inhibited a resistance conferring mutant of AChE1. Structure-selectivity relationships could be proposed based on the enzymes' 3D structures; the hits' selectivity profiles appear to be linked to differences in two loops that affect the structure of the entire active site. Non-covalent inhibitors of AChE1, such as the ones presented here, provide valuable starting points towards insecticides and are complementarity to existing and new covalent inhibitors.

-	~~Authors: Knutsson, S~~., Engdahl, C., Ekstrom~~, F.~~, Linusson, A.	+	Discovery of selective inhibitors targeting acetylcholinesterase 1 from disease-transmitting mosquitoes.,Engdahl C, Knutsson S, Ekstrom FJ, Linusson A J Med Chem. 2016 Sep 6. PMID:27598521<ref>PMID:27598521</ref>

-	~~Description~~: ~~Mus musculus acetylcholinesterase in complex with AL200~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5fum" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Acetylcholinesterase]]
	[[Category: Ekstrom, F]]		[[Category: Ekstrom, F]]
		+	[[Category: Engdahl, C]]
	[[Category: Knutsson, S]]		[[Category: Knutsson, S]]
	[[Category: Linusson, A]]		[[Category: Linusson, A]]
-	[[Category: ~~Engdahl, C~~]]	+	[[Category: Dengue]]
		+	[[Category: Hydrolase]]
		+	[[Category: Insecticide]]
		+	[[Category: Malaria]]
		+	[[Category: Selective]]
		+	[[Category: Vector control]]

OCA at 10:37, 10 August 2016

2016-08-10T10:37:23Z

←Older revision		Revision as of 10:37, 10 August 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.		Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.

OCA at 09:14, 26 July 2016

2016-07-26T09:14:07Z

←Older revision		Revision as of 09:14, 26 July 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5fum is ON HOLD ~~until sometime in the future~~	+	The entry 5fum is ON HOLD

	Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.		Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.

OCA at 21:11, 12 July 2016

2016-07-12T21:11:46Z

←Older revision		Revision as of 21:11, 12 July 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5fum is ON HOLD	+	The entry 5fum is ON HOLD until sometime in the future

	Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.		Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.

OCA at 14:55, 10 February 2016

2016-02-10T14:55:28Z

←Older revision		Revision as of 14:55, 10 February 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5fum is ON HOLD ~~until sometime in the future~~	+	The entry 5fum is ON HOLD

	Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.		Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A.

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

2016-02-03T13:28:17Z

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

←Older revision

Revision as of 13:28, 3 February 2016