8aen - Revision history

OCA at 08:11, 7 February 2024

2024-02-07T08:11:16Z

←Older revision		Revision as of 08:11, 7 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8aen]] is a 2 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=8AEN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AEN FirstGlance]. <br>		<table><tr><td colspan='2'>[[8aen]] is a 2 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=8AEN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AEN FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene>, <scene name='pdbligand=LWL:N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium'>LWL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SIA:O-SIALIC+ACID'>SIA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 3.01Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene>, <scene name='pdbligand=LWL:N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium'>LWL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SIA:O-SIALIC+ACID'>SIA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8aen FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aen OCA], [https://pdbe.org/8aen PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aen RCSB], [https://www.ebi.ac.uk/pdbsum/8aen PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aen 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=8aen FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aen OCA], [https://pdbe.org/8aen PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aen RCSB], [https://www.ebi.ac.uk/pdbsum/8aen PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aen ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/ACES_HUMAN ACES_HUMAN] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.<ref>PMID:2714437</ref> <ref>PMID:1748670</ref> <ref>PMID:1517212</ref> <ref>PMID:11985878</ref>		[https://www.uniprot.org/uniprot/ACES_HUMAN ACES_HUMAN] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.<ref>PMID:2714437</ref> <ref>PMID:1748670</ref> <ref>PMID:1517212</ref> <ref>PMID:11985878</ref>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	We report the implementation of coordination complexes containing two types of cationic moieties, i. e. pyridinium and ammonium quaternary salt, as potential inhibitors of human cholinesterase enzymes. Utilization of ligands containing NNO-coordination site and binding zinc metal ion allowed mono- and tetra-nuclear complexes to be obtained with corner and grid structural type, respectively, thus affecting the overall charge of the compounds (from +1 to +8). We were able to examine for the first time the multivalency effect of metallosupramolecular species on their inhibitory abilities towards acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Importantly, resolution of the crystal structures of the obtained enzyme-substrate complexes provided a better understanding of the inhibition process at the molecular level.
-
-	Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.,Nachon F, Brazzolotto X, Dias J, Courageux C, Drozdz W, Cao XY, Stefankiewicz AR, Lehn JM Chembiochem. 2022 Dec 5;23(23):e202200456. doi: 10.1002/cbic.202200456. Epub 2022 , Nov 2. PMID:36193860<ref>PMID:36193860</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 8aen" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 09:36, 21 June 2023

2023-06-21T09:36:20Z

←Older revision		Revision as of 09:36, 21 June 2023
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-	'''Unreleased structure'''

-	~~The entry~~ 8aen is ~~ON HOLD until Paper~~ Publication	+	==Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium==
		+	<StructureSection load='8aen' size='340' side='right'caption='[[8aen]], [[Resolution\|resolution]] 3.01Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8aen]] is a 2 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=8AEN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8AEN FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=FUC:ALPHA-L-FUCOSE'>FUC</scene>, <scene name='pdbligand=GAL:BETA-D-GALACTOSE'>GAL</scene>, <scene name='pdbligand=LWL:N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium'>LWL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=SIA:O-SIALIC+ACID'>SIA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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=8aen FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8aen OCA], [https://pdbe.org/8aen PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8aen RCSB], [https://www.ebi.ac.uk/pdbsum/8aen PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8aen ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/ACES_HUMAN ACES_HUMAN] Terminates signal transduction at the neuromuscular junction by rapid hydrolysis of the acetylcholine released into the synaptic cleft. Role in neuronal apoptosis.<ref>PMID:2714437</ref> <ref>PMID:1748670</ref> <ref>PMID:1517212</ref> <ref>PMID:11985878</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	We report the implementation of coordination complexes containing two types of cationic moieties, i. e. pyridinium and ammonium quaternary salt, as potential inhibitors of human cholinesterase enzymes. Utilization of ligands containing NNO-coordination site and binding zinc metal ion allowed mono- and tetra-nuclear complexes to be obtained with corner and grid structural type, respectively, thus affecting the overall charge of the compounds (from +1 to +8). We were able to examine for the first time the multivalency effect of metallosupramolecular species on their inhibitory abilities towards acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Importantly, resolution of the crystal structures of the obtained enzyme-substrate complexes provided a better understanding of the inhibition process at the molecular level.

-	~~Authors: Nachon~~, F., ~~Dias~~, J., ~~Brazzolotto~~, X.	+	Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions.,Nachon F, Brazzolotto X, Dias J, Courageux C, Drozdz W, Cao XY, Stefankiewicz AR, Lehn JM Chembiochem. 2022 Dec 5;23(23):e202200456. doi: 10.1002/cbic.202200456. Epub 2022 , Nov 2. PMID:36193860<ref>PMID:36193860</ref>

-	~~Description: Human acetylcholinesterase in complex with zinc and N~~,~~N,N-trimethyl-2~~-~~oxo~~-~~2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
-	[[Category: ~~Nachon, F~~]]	+	<div class="pdbe-citations 8aen" style="background-color:#fffaf0;"></div>
-	[[Category: Brazzolotto, X]]	+	== References ==
-	[[Category: Dias, J]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Homo sapiens]]
		+	[[Category: Large Structures]]
		+	[[Category: Brazzolotto X]]
		+	[[Category: Dias J]]
		+	[[Category: Nachon F]]

OCA at 03:43, 18 August 2022

2022-08-18T03:43:16Z

←Older revision		Revision as of 03:43, 18 August 2022
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8aen is ON HOLD	+	The entry 8aen is ON HOLD until Paper Publication

	Authors: Nachon, F., Dias, J., Brazzolotto, X.		Authors: Nachon, F., Dias, J., Brazzolotto, X.

OCA: Protected "8aen" [edit=sysop:move=sysop]

2022-07-20T04:19:08Z

Protected "8aen" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:19, 20 July 2022

OCA: New page: '''Unreleased structure''' The entry 8aen is ON HOLD Authors: Nachon, F., Dias, J., Brazzolotto, X. Description: Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-o...

2022-07-20T04:19:06Z

New page: '''Unreleased structure''' The entry 8aen is ON HOLD Authors: Nachon, F., Dias, J., Brazzolotto, X. Description: Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-o...

New page

'''Unreleased structure'''

The entry 8aen is ON HOLD

Authors: Nachon, F., Dias, J., Brazzolotto, X.

Description: Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium
[[Category: Unreleased Structures]]
[[Category: Nachon, F]]
[[Category: Brazzolotto, X]]
[[Category: Dias, J]]