7r02 - Revision history

OCA at 13:24, 1 February 2024

2024-02-01T13:24:53Z

←Older revision		Revision as of 13:24, 1 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7r02]] 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=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>		<table><tr><td colspan='2'>[[7r02]] 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=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9YU:2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol'>9YU</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=I62:~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide'>I62</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</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='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9YU:2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol'>9YU</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=I62:~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide'>I62</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</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=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 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=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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.	+	[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 ==

OCA at 04:42, 8 September 2022

2022-09-08T04:42:26Z

←Older revision		Revision as of 04:42, 8 September 2022
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	<StructureSection load='7r02' size='340' side='right'caption='[[7r02]], [[Resolution\|resolution]] 2.30Å' scene=''>		<StructureSection load='7r02' size='340' side='right'caption='[[7r02]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[7r02]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7r02]] 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=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9YU:2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol'>9YU</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=I62:~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide'>I62</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9YU:2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol'>9YU</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=I62:~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide'>I62</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7qyn\|7qyn]], [[7r0a\|7r0a]], [[7r2f\|7r2f]], [[7r3c\|7r3c]], [[7r4e\|7r4e]]</div></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 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=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[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.	+	[[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 20:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 7r02" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7r02" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Acetylcholinesterase 3D structures\|Acetylcholinesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Acetylcholinesterase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Edvinsson, L]]	+	[[Category: Mus musculus]]
-	[[Category: Ekstrom, F]]	+	[[Category: Edvinsson L]]
-	[[Category: Forsgren, N]]	+	[[Category: Ekstrom F]]
-	[[Category: Lindgren, C]]	+	[[Category: Forsgren N]]
-	[[Category: Linusson, A]]	+	[[Category: Lindgren C]]
-	~~[[Category: Complex]]~~	+	[[Category: Linusson A]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor~~]]	+

OCA at 05:20, 15 June 2022

2022-06-15T05:20:14Z

←Older revision		Revision as of 05:20, 15 June 2022
Line 1:		Line 1:

	==Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide==		==Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide==
-	<StructureSection load='7r02' size='340' side='right'caption='[[7r02]]' scene=''>	+	<StructureSection load='7r02' size='340' side='right'caption='[[7r02]], [[Resolution\|resolution]] 2.30Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[7r02]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>
-	</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=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9YU:2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol'>9YU</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=I62:~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide'>I62</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=PG0:2-(2-METHOXYETHOXY)ETHANOL'>PG0</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[7qyn\|7qyn]], [[7r0a\|7r0a]], [[7r2f\|7r2f]], [[7r3c\|7r3c]], [[7r4e\|7r4e]]</div></td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Acetylcholinesterase Acetylcholinesterase], with EC number [https://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'>[https://proteopedia.org/fgij/fg.htm?mol=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[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;">
		+	== Publication Abstract from PubMed ==
		+	Reactivators are vital for the treatment of organophosphorus nerve agent (OPNA) intoxication but new alternatives are needed due to their limited clinical applicability. The toxicity of OPNAs stems from covalent inhibition of the essential enzyme acetylcholinesterase (AChE), which reactivators relieve via a chemical reaction with the inactivated enzyme. Here, we present new strategies and tools for developing reactivators. We discover suitable inhibitor scaffolds by using an activity-independent competition assay to study non-covalent interactions with OPNA-AChEs and transform these inhibitors into broad-spectrum reactivators. Moreover, we identify determinants of reactivation efficiency by analysing reactivation and pre-reactivation kinetics together with structural data. Our results show that new OPNA reactivators can be discovered rationally by exploiting detailed knowledge of the reactivation mechanism of OPNA-inhibited AChE.
		+
		+	Broad-spectrum antidote discovery by untangling the reactivation mechanism of nerve agent inhibited acetylcholinesterase.,Lindgren C, Forsgren N, Hoster N, Akfur C, Artursson E, Edvinsson L, Svensson R, Worek F, Ekstrom F, Linusson A Chemistry. 2022 Apr 14. doi: 10.1002/chem.202200678. PMID:35420233<ref>PMID:35420233</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 7r02" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Acetylcholinesterase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Edvinsson L]]	+	[[Category: Edvinsson, L]]
-	[[Category: Ekstrom F]]	+	[[Category: Ekstrom, F]]
-	[[Category: Forsgren N]]	+	[[Category: Forsgren, N]]
-	[[Category: Lindgren C]]	+	[[Category: Lindgren, C]]
-	[[Category: Linusson A]]	+	[[Category: Linusson, A]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]

OCA at 11:38, 27 April 2022

2022-04-27T11:38:56Z

←Older revision		Revision as of 11:38, 27 April 2022
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 7r02 is ~~ON HOLD until Paper Publication~~	+	==Mus musculus acetylcholinesterase in complex with N-(3-(diethylamino)propyl)-4-methyl-3-nitrobenzamide==
-		+	<StructureSection load='7r02' size='340' side='right'caption='[[7r02]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7R02 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7R02 FirstGlance]. <br>
-	~~Description~~:	+	</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=7r02 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7r02 OCA], [https://pdbe.org/7r02 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7r02 RCSB], [https://www.ebi.ac.uk/pdbsum/7r02 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7r02 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Edvinsson L]]
		+	[[Category: Ekstrom F]]
		+	[[Category: Forsgren N]]
		+	[[Category: Lindgren C]]
		+	[[Category: Linusson A]]

OCA at 08:59, 6 April 2022

2022-04-06T08:59:25Z

←Older revision		Revision as of 08:59, 6 April 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 7r02 is ON HOLD	+	The entry 7r02 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "7r02" [edit=sysop:move=sysop]

2022-02-09T06:10:51Z

Protected "7r02" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:10, 9 February 2022

OCA: New page: '''Unreleased structure''' The entry 7r02 is ON HOLD Authors: Description: Category: Unreleased Structures

2022-02-09T06:10:50Z

New page: '''Unreleased structure''' The entry 7r02 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 7r02 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]