5fum: Difference between revisions
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==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. | |||
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> | |||
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |||
[[Category: | </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: | [[Category: Dengue]] | ||
[[Category: Hydrolase]] | |||
[[Category: Insecticide]] | |||
[[Category: Malaria]] | |||
[[Category: Selective]] | |||
[[Category: Vector control]] | |||
Revision as of 13:49, 21 September 2016
Mus musculus acetylcholinesterase in complex with AL200
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