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==Ancylostoma ceylanicum mif in complex with furosemide==
==Ancylostoma ceylanicum mif in complex with furosemide==
<StructureSection load='3rf4' size='340' side='right' caption='[[3rf4]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
<StructureSection load='3rf4' size='340' side='right'caption='[[3rf4]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3rf4]] is a 3 chain structure with sequence from [http://en.wikipedia.org/wiki/Ancylostoma_ceylanicum Ancylostoma ceylanicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RF4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RF4 FirstGlance]. <br>
<table><tr><td colspan='2'>[[3rf4]] is a 3 chain structure with sequence from [https://en.wikipedia.org/wiki/Ancylostoma_ceylanicum Ancylostoma ceylanicum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3RF4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RF4 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FUN:5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC+ACID'>FUN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</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]] 1.8&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2os5|2os5]], [[3rf5|3rf5]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=FUN:5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC+ACID'>FUN</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ACEMIF ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=53326 Ancylostoma ceylanicum])</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=3rf4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rf4 OCA], [https://pdbe.org/3rf4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rf4 RCSB], [https://www.ebi.ac.uk/pdbsum/3rf4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rf4 ProSAT]</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=3rf4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rf4 OCA], [http://pdbe.org/3rf4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3rf4 RCSB], [http://www.ebi.ac.uk/pdbsum/3rf4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3rf4 ProSAT]</span></td></tr>
</table>
</table>
<div style="background-color:#fffaf0;">
== Function ==
== Publication Abstract from PubMed ==
[https://www.uniprot.org/uniprot/A4GRE3_9BILA A4GRE3_9BILA]
The screening of bioactive compound libraries can be an effective approach for repositioning FDA-approved drugs or discovering new pharmacophores. Hookworms are blood-feeding, intestinal nematode parasites that infect up to 600 million people worldwide. Vaccination with recombinant Ancylostoma ceylanicum macrophage migration inhibitory factor (rAceMIF) provided partial protection from disease, thus establishing a "proof-of-concept" for targeting AceMIF to prevent or treat infection. A high-throughput screen (HTS) against rAceMIF identified six AceMIF-specific inhibitors. A nonsteroidal anti-inflammatory drug (NSAID), sodium meclofenamate, could be tested in an animal model to assess the therapeutic efficacy in treating hookworm disease. Furosemide, an FDA-approved diuretic, exhibited submicromolar inhibition of rAceMIF tautomerase activity. Structure-activity relationships of a pharmacophore based on furosemide included one analog that binds similarly to the active site, yet does not inhibit the Na-K-Cl symporter (NKCC1) responsible for diuretic activity.
 
Drug Repositioning and Pharmacophore Identification in the Discovery of Hookworm MIF Inhibitors.,Cho Y, Vermeire JJ, Merkel JS, Leng L, Du X, Bucala R, Cappello M, Lolis E Chem Biol. 2011 Sep 23;18(9):1089-101. PMID:21944748<ref>PMID:21944748</ref>
 
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3rf4" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Macrophage inhibitory factor|Macrophage inhibitory factor]]
*[[Macrophage inhibitory factor 3D structures|Macrophage inhibitory factor 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Ancylostoma ceylanicum]]
[[Category: Ancylostoma ceylanicum]]
[[Category: Cho, Y]]
[[Category: Large Structures]]
[[Category: Lolis, E]]
[[Category: Cho Y]]
[[Category: Isomerase]]
[[Category: Lolis E]]
[[Category: Isomerase-isomerase inhibitor complex]]
[[Category: Protein-small molecule complex]]

Latest revision as of 15:21, 14 March 2024

Ancylostoma ceylanicum mif in complex with furosemideAncylostoma ceylanicum mif in complex with furosemide

Structural highlights

3rf4 is a 3 chain structure with sequence from Ancylostoma ceylanicum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.8Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

A4GRE3_9BILA

See Also

3rf4, resolution 1.80Å

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