3rf5

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==Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide==
==Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide==
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<StructureSection load='3rf5' size='340' side='right' caption='[[3rf5]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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<StructureSection load='3rf5' size='340' side='right'caption='[[3rf5]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[3rf5]] 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=3RF5 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3RF5 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[3rf5]] 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=3RF5 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3RF5 FirstGlance]. <br>
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</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=FUZ:2-[(FURAN-2-YLMETHYL)AMINO]BENZOIC+ACID'>FUZ</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3rf4|3rf4]], [[2os5|2os5]]</td></tr>
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<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=FUZ:2-[(FURAN-2-YLMETHYL)AMINO]BENZOIC+ACID'>FUZ</scene>, <scene name='pdbligand=IMD:IMIDAZOLE'>IMD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<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=3rf5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rf5 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3rf5 RCSB], [http://www.ebi.ac.uk/pdbsum/3rf5 PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3rf5 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3rf5 OCA], [https://pdbe.org/3rf5 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3rf5 RCSB], [https://www.ebi.ac.uk/pdbsum/3rf5 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3rf5 ProSAT]</span></td></tr>
</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/A4GRE3_9BILA A4GRE3_9BILA]
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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.
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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>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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==See Also==
==See Also==
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*[[Macrophage inhibitory factor|Macrophage inhibitory factor]]
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*[[Macrophage inhibitory factor 3D structures|Macrophage inhibitory factor 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Ancylostoma ceylanicum]]
[[Category: Ancylostoma ceylanicum]]
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[[Category: Cho, Y]]
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[[Category: Large Structures]]
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[[Category: Lolis, E]]
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[[Category: Cho Y]]
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[[Category: Isomerase]]
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[[Category: Lolis E]]
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[[Category: Isomerase-isomerase inhibitor complex]]
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[[Category: Protein-small molecule complex]]
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Current revision

Ancylostoma ceylanicum mif in complex with n-(2,3,4,5,6-pentafluoro-benzyl)-4-sulfamoyl-benzamide

PDB ID 3rf5

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