5fum: Difference between revisions

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New page: '''Unreleased structure''' The entry 5fum is ON HOLD until sometime in the future Authors: Knutsson, S., Engdahl, C., Ekstrom, F., Linusson, A. Description: Mus musculus acetylcholines...
 
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'''Unreleased structure'''


The entry 5fum is ON HOLD  until sometime in the future
==Mus musculus acetylcholinesterase in complex with AL200==
<StructureSection load='5fum' size='340' side='right'caption='[[5fum]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
<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='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.5&#8491;</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'>[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>
== 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 ==
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&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
[[Category: Unreleased Structures]]
</div>
[[Category: Ekstrom, F]]
<div class="pdbe-citations 5fum" style="background-color:#fffaf0;"></div>
[[Category: Knutsson, S]]
 
[[Category: Linusson, A]]
==See Also==
[[Category: Engdahl, C]]
*[[Acetylcholinesterase 3D structures|Acetylcholinesterase 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Large Structures]]
[[Category: Mus musculus]]
[[Category: Ekstrom F]]
[[Category: Engdahl C]]
[[Category: Knutsson S]]
[[Category: Linusson A]]
Retrieved from "https://proteopedia.org/5fum"