4dw6

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==Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.==
==Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.==
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<StructureSection load='4dw6' size='340' side='right' caption='[[4dw6]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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<StructureSection load='4dw6' size='340' side='right'caption='[[4dw6]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4dw6]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_tuberculosis"_(zopf_1883)_klein_1884 "bacillus tuberculosis" (zopf 1883) klein 1884]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DW6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4DW6 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4dw6]] is a 1 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=4DW6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DW6 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=0MN:N-[4-(1,3-BENZOTHIAZOL-2-YL)PHENYL]-2-(3-METHOXYPHENOXY)ACETAMIDE'>0MN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NH4:AMMONIUM+ION'>NH4</scene></td></tr>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0MN:N-[4-(1,3-BENZOTHIAZOL-2-YL)PHENYL]-2-(3-METHOXYPHENOXY)ACETAMIDE'>0MN</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NH4:AMMONIUM+ION'>NH4</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">etaR, ethR, MT3970, Rv3855 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1773 "Bacillus tuberculosis" (Zopf 1883) Klein 1884])</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=4dw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dw6 OCA], [https://pdbe.org/4dw6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dw6 RCSB], [https://www.ebi.ac.uk/pdbsum/4dw6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dw6 ProSAT]</span></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=4dw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dw6 OCA], [http://pdbe.org/4dw6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4dw6 RCSB], [http://www.ebi.ac.uk/pdbsum/4dw6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4dw6 ProSAT]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>
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[[https://www.uniprot.org/uniprot/ETHR_MYCTU ETHR_MYCTU]] Involved in the repression of the monooxygenase EthA which is responsible of the formation of the active metabolite of ethionamide (ETH).<ref>PMID:10869356</ref> <ref>PMID:10944230</ref>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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</div>
</div>
<div class="pdbe-citations 4dw6" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 4dw6" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Tetracycline repressor protein 3D structures|Tetracycline repressor protein 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Baulard, A R]]
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[[Category: Large Structures]]
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[[Category: Brodin, P]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Christophe, T]]
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[[Category: Baulard AR]]
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[[Category: Deprez, B]]
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[[Category: Brodin P]]
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[[Category: Desroses, M]]
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[[Category: Christophe T]]
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[[Category: Flipo, M]]
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[[Category: Deprez B]]
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[[Category: Hounsou, C]]
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[[Category: Desroses M]]
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[[Category: Jeon, H K]]
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[[Category: Flipo M]]
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[[Category: Lecat-Guillet, N]]
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[[Category: Hounsou C]]
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[[Category: Lens, Z]]
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[[Category: Jeon HK]]
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[[Category: Leroux, F]]
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[[Category: Lecat-Guillet N]]
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[[Category: Locht, C]]
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[[Category: Lens Z]]
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[[Category: Villeret, V]]
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[[Category: Leroux F]]
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[[Category: Willand, N]]
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[[Category: Locht C]]
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[[Category: Wintjens, R]]
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[[Category: Villeret V]]
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[[Category: Wohlkonig, A]]
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[[Category: Willand N]]
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[[Category: Dna binding protein]]
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[[Category: Wintjens R]]
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[[Category: Inhibitor]]
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[[Category: Wohlkonig A]]
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[[Category: Tetr-family]]
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[[Category: Transcription repressor-inhibitor complex]]
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[[Category: Transcription-inhibitor complex]]
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[[Category: Transcritptional regulatory repressor]]
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Revision as of 08:41, 21 September 2022

Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.

PDB ID 4dw6

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