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8crh

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'''Unreleased structure'''
 
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The entry 8crh is ON HOLD
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==Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil==
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<StructureSection load='8crh' size='340' side='right'caption='[[8crh]], [[Resolution|resolution]] 1.30&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[8crh]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Candida_auris Candida auris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CRH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CRH FirstGlance]. <br>
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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]] 1.3&#8491;</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=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=VIL:5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine'>VIL</scene></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=8crh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8crh OCA], [https://pdbe.org/8crh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8crh RCSB], [https://www.ebi.ac.uk/pdbsum/8crh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8crh ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/A0A0L0P1H8_CANAR A0A0L0P1H8_CANAR]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Candida auris has emerged as a global health problem with a dramatic spread by nosocomial transmission and a high mortality rate. Antifungal therapy for C. auris infections is currently limited due to widespread resistance to fluconazole and amphotericin B and increasing resistance to the front-line drug echinocandin. Therefore, new treatments are urgently required to combat this pathogen. Dihydrofolate reductase (DHFR) has been validated as a potential drug target for Candida species, although no structure of the C. auris enzyme (CauDHFR) has been reported. Here, crystal structures of CauDHFR are reported as an apoenzyme, as a holoenzyme and in two ternary complexes with pyrimethamine and cycloguanil, which are common antifolates, at near-atomic resolution. Preliminary biochemical and biophysical assays and antifungal susceptibility testing with a variety of classical antifolates were also performed, highlighting the enzyme-inhibition rates and the inhibition of yeast growth. These structural and functional data might provide the basis for a novel drug-discovery campaign against this global threat.
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Authors: Kirkman, T.J., Dias, M.V.B.
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Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.,Kirkman T, Sketcher A, de Morais Barroso V, Ishida K, Tosin M, Dias MVB Acta Crystallogr D Struct Biol. 2023 Aug 1;79(Pt 8):735-745. doi: , 10.1107/S2059798323004709. Epub 2023 Jul 10. PMID:37428844<ref>PMID:37428844</ref>
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Description: Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[Category: Unreleased Structures]]
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</div>
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[[Category: Dias, M.V.B]]
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<div class="pdbe-citations 8crh" style="background-color:#fffaf0;"></div>
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[[Category: Kirkman, T.J]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
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[[Category: Dias MVB]]
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[[Category: Kirkman TJ]]

Revision as of 10:36, 2 August 2023

Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil

PDB ID 8crh

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