5icj

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(New page: '''Unreleased structure''' The entry 5icj is ON HOLD until Paper Publication Authors: Wohlkonig, A., Remaut, H., Tanina, A., Meyer, F., Willand, N., Baulard, A.R., Wintjens, R. Descrip...)
Current revision (13:45, 30 August 2023) (edit) (undo)
 
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'''Unreleased structure'''
 
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The entry 5icj is ON HOLD until Paper Publication
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==Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420==
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<StructureSection load='5icj' size='340' side='right'caption='[[5icj]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[5icj]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis Mycobacterium tuberculosis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ICJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ICJ 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]] 2.4&#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=69Y:4,4,4-TRIFLUORO-1-(3-PHENYL-1-OXA-2,8-DIAZASPIRO[4.5]DEC-2-EN-8-YL)BUTAN-1-ONE'>69Y</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=5icj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5icj OCA], [https://pdbe.org/5icj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5icj RCSB], [https://www.ebi.ac.uk/pdbsum/5icj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5icj ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/O53623_MYCTU O53623_MYCTU]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Antibiotic resistance is one of the biggest threats to human health globally. Alarmingly, multidrug-resistant and extensively drug-resistant Mycobacterium tuberculosis have now spread worldwide. Some key antituberculosis antibiotics are prodrugs, for which resistance mechanisms are mainly driven by mutations in the bacterial enzymatic pathway required for their bioactivation. We have developed drug-like molecules that activate a cryptic alternative bioactivation pathway of ethionamide in M. tuberculosis, circumventing the classic activation pathway in which resistance mutations have now been observed. The first-of-its-kind molecule, named SMARt-420 (Small Molecule Aborting Resistance), not only fully reverses ethionamide-acquired resistance and clears ethionamide-resistant infection in mice, it also increases the basal sensitivity of bacteria to ethionamide.
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Authors: Wohlkonig, A., Remaut, H., Tanina, A., Meyer, F., Willand, N., Baulard, A.R., Wintjens, R.
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Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.,Blondiaux N, Moune M, Desroses M, Frita R, Flipo M, Mathys V, Soetaert K, Kiass M, Delorme V, Djaout K, Trebosc V, Kemmer C, Wintjens R, Wohlkonig A, Antoine R, Huot L, Hot D, Coscolla M, Feldmann J, Gagneux S, Locht C, Brodin P, Gitzinger M, Deprez B, Willand N, Baulard AR Science. 2017 Mar 17;355(6330):1206-1211. doi: 10.1126/science.aag1006. Epub 2017, Mar 16. PMID:28302858<ref>PMID:28302858</ref>
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Description: Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420
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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: Willand, N]]
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<div class="pdbe-citations 5icj" style="background-color:#fffaf0;"></div>
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[[Category: Remaut, H]]
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== References ==
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[[Category: Tanina, A]]
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<references/>
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[[Category: Baulard, A.R]]
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__TOC__
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[[Category: Wintjens, R]]
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</StructureSection>
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[[Category: Wohlkonig, A]]
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[[Category: Large Structures]]
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[[Category: Meyer, F]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Baulard AR]]
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[[Category: Meyer F]]
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[[Category: Remaut H]]
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[[Category: Tanina A]]
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[[Category: Willand N]]
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[[Category: Wintjens R]]
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[[Category: Wohlkonig A]]

Current revision

Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420

PDB ID 5icj

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