4cod

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==Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA==
==Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA==
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<StructureSection load='4cod' size='340' side='right' caption='[[4cod]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
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<StructureSection load='4cod' size='340' side='right'caption='[[4cod]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4cod]] is a 4 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=4COD OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4COD FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4cod]] is a 4 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=4COD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4COD 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=KV1:N-((3R,5S)-1-(BENZOFURAN-3-CARBONYL)-5-(ETHYLCARBAMOYL)PYRROLIDIN-3-YL)-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE'>KV1</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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]] 2.4&#8491;</td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></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=KV1:N-((3R,5S)-1-(BENZOFURAN-3-CARBONYL)-5-(ETHYLCARBAMOYL)PYRROLIDIN-3-YL)-3-ETHYL-1-METHYL-1H-PYRAZOLE-5-CARBOXAMIDE'>KV1</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</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=4cod FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cod OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4cod RCSB], [http://www.ebi.ac.uk/pdbsum/4cod 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=4cod FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4cod OCA], [https://pdbe.org/4cod PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4cod RCSB], [https://www.ebi.ac.uk/pdbsum/4cod PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4cod ProSAT]</span></td></tr>
</table>
</table>
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== Function ==
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[https://www.uniprot.org/uniprot/INHA_MYCTU INHA_MYCTU]
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 4cod" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Enoyl-Acyl-Carrier Protein Reductase|Enoyl-Acyl-Carrier Protein Reductase]]
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*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Castro-Pichel, J]]
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[[Category: Large Structures]]
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[[Category: Convery, M A]]
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[[Category: Mycobacterium tuberculosis]]
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[[Category: Encinas, L]]
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[[Category: Castro-Pichel J]]
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[[Category: Evindar, G]]
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[[Category: Convery MA]]
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[[Category: McDowell, W]]
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[[Category: Encinas L]]
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[[Category: Mendoza-Losana, A]]
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[[Category: Evindar G]]
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[[Category: Neu, M]]
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[[Category: McDowell W]]
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[[Category: OKeefe, H]]
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[[Category: Mendoza-Losana A]]
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[[Category: Pages, L B]]
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[[Category: Neu M]]
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[[Category: Elt]]
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[[Category: OKeefe H]]
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[[Category: Encoded library technology]]
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[[Category: Pages LB]]
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[[Category: Isoniazid]]
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[[Category: L-proline]]
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[[Category: Transferase]]
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Current revision

Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA

PDB ID 4cod

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