1zxv

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[[Image:1zxv.gif|left|200px]]
 
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{{Structure
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==X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid.==
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|PDB= 1zxv |SIZE=350|CAPTION= <scene name='initialview01'>1zxv</scene>, resolution 2.67&Aring;
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<StructureSection load='1zxv' size='340' side='right'caption='[[1zxv]], [[Resolution|resolution]] 2.67&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=MFM:(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC ACID'>MFM</scene>
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<table><tr><td colspan='2'>[[1zxv]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_anthracis Bacillus anthracis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZXV OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1ZXV FirstGlance]. <br>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Anthrax_lethal_factor_endopeptidase Anthrax lethal factor endopeptidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.83 3.4.24.83]
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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]] 2.67&#8491;</td></tr>
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|GENE= lef ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1392 Bacillus anthracis])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MFM:(E)-3-(5((5-(4-CHLOROPHENYL)FURAN-2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN-3-YL)PROPANOIC+ACID'>MFM</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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}}
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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=1zxv FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zxv OCA], [https://pdbe.org/1zxv PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1zxv RCSB], [https://www.ebi.ac.uk/pdbsum/1zxv PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1zxv ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/Q52NH3_BACAN Q52NH3_BACAN]
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'''X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid.'''
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==See Also==
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*[[Anthrax lethal factor 3D structures|Anthrax lethal factor 3D structures]]
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__TOC__
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==Overview==
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</StructureSection>
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Inhalation anthrax is a deadly disease for which there is currently no effective treatment. Bacillus anthracis lethal factor (LF) metalloproteinase is an integral component of the tripartite anthrax lethal toxin that is essential for the onset and progression of anthrax. We report here on a fragment-based approach that allowed us to develop inhibitors of LF. The small-molecule inhibitors we have designed, synthesized, and tested are highly potent and selective against LF in both in vitro tests and cell-based assays. These inhibitors do not affect the prototype human metalloproteinases that are structurally similar to LF. Initial in vivo evaluation of postexposure efficacy of our inhibitors combined with antibiotic ciprofloxacin against B. anthracis resulted in significant protection. Our data strongly indicate that the scaffold of inhibitors we have identified is the foundation for the development of novel, safe, and effective emergency therapy of postexposure inhalation anthrax.
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==About this Structure==
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1ZXV is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_anthracis Bacillus anthracis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZXV OCA].
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==Reference==
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Efficient synthetic inhibitors of anthrax lethal factor., Forino M, Johnson S, Wong TY, Rozanov DV, Savinov AY, Li W, Fattorusso R, Becattini B, Orry AJ, Jung D, Abagyan RA, Smith JW, Alibek K, Liddington RC, Strongin AY, Pellecchia M, Proc Natl Acad Sci U S A. 2005 Jul 5;102(27):9499-504. Epub 2005 Jun 27. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15983377 15983377]
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[[Category: Anthrax lethal factor endopeptidase]]
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[[Category: Bacillus anthracis]]
[[Category: Bacillus anthracis]]
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[[Category: Single protein]]
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[[Category: Large Structures]]
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[[Category: Liddington, R C.]]
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[[Category: Liddington RC]]
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[[Category: Wong, T Y.]]
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[[Category: Wong TY]]
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[[Category: MFM]]
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[[Category: ZN]]
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[[Category: anthrax toxin lethal factor]]
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[[Category: protein and small molecule inhibitor complex]]
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[[Category: zinc metalloproteinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:41:05 2008''
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Current revision

X-Ray Crystal Structure of the Anthrax Lethal Factor Bound to a Small Molecule Inhibitor, BI-MFM3, 3-{5-[5-(4-Chloro-phenyl)-furan-2-ylmethylene]-4-oxo-2-thioxo-thiazolidin-3-yl}-propionic acid.

PDB ID 1zxv

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