4cod - Revision history

OCA at 12:13, 20 December 2023

2023-12-20T12:13:46Z

← Older revision		Revision as of 12:13, 20 December 2023
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	== Structural highlights ==		== Structural highlights ==
	<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>		<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>
	</td></tr><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>		</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 2.4Å</td></tr>
			<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>
	<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>		<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>
	== Function ==		== Function ==
	[[https://www.uniprot.org/uniprot/INHA_MYCTU INHA_MYCTU]]		[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 ==

OCA at 07:24, 14 September 2022

2022-09-14T07:24:40Z

← Older revision		Revision as of 07:24, 14 September 2022
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	<StructureSection load='4cod' size='340' side='right'caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4cod' size='340' side='right'caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<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>		<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>
	</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>~~		</td></tr><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>
	<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>		<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>
	<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~~://pdbe.org/4cod PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4cod RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4cod PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4cod ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[[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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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Castro-Pichel, J]]		[[Category: Mycobacterium tuberculosis]]
	[[Category: Convery~~, M A~~]]		[[Category: Castro-Pichel J]]
	[[Category: Encinas, L]]		[[Category: Convery MA]]
	[[Category: Evindar, G]]		[[Category: Encinas L]]
	[[Category: McDowell, W]]		[[Category: Evindar G]]
	[[Category: Mendoza-Losana, A]]		[[Category: McDowell W]]
	[[Category: Neu, M]]		[[Category: Mendoza-Losana A]]
	[[Category: OKeefe, H]]		[[Category: Neu M]]
	[[Category: Pages~~, L B]]~~		[[Category: OKeefe H]]
	~~[[Category: Elt]]~~		[[Category: Pages LB]]
	~~[[Category: Encoded library technology]]~~
	~~[[Category: Isoniazid]]~~
	~~[[Category: L-proline]]~~
	~~[[Category: Transferase~~]]

OCA at 16:45, 28 August 2019

2019-08-28T16:45:02Z

← Older revision		Revision as of 16:45, 28 August 2019
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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==
	<StructureSection load='4cod' size='340' side='right' caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4cod' size='340' side='right'caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<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>		<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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	</div>		</div>
	<div class="pdbe-citations 4cod" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4cod" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures\|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
	[[Category: Castro-Pichel, J]]		[[Category: Castro-Pichel, J]]
	[[Category: Convery, M A]]		[[Category: Convery, M A]]

OCA at 14:53, 15 November 2017

2017-11-15T14:53:34Z

← Older revision		Revision as of 14:53, 15 November 2017
Line 17:		Line 17:
	</div>		</div>
	<div class="pdbe-citations 4cod" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4cod" style="background-color:#fffaf0;"></div>

	~~==See Also==~~
	*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 15:37, 11 August 2016

2016-08-11T15:37:10Z

← Older revision		Revision as of 15:37, 11 August 2016
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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==
	<StructureSection load='4cod' size='340' side='right' caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>		<StructureSection load='4cod' size='340' side='right' caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>
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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>		</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>
	<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>		<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>
	<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>		<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://pdbe.org/4cod PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4cod RCSB], [http://www.ebi.ac.uk/pdbsum/4cod PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4cod ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
			<div class="pdbe-citations 4cod" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==

OCA at 14:14, 4 January 2015

2015-01-04T14:14:14Z

← Older revision		Revision as of 14:14, 4 January 2015
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	== Structural highlights ==		== Structural highlights ==
	<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>		<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>
	</td></tr><tr><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><br>		</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>
	<tr><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>		<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>
	<tr><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>		<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>
	<table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Castro-Pichel, J.]]		[[Category: Castro-Pichel, J]]
	[[Category: Convery, M A.]]		[[Category: Convery, M A]]
	[[Category: Encinas, L.]]		[[Category: Encinas, L]]
	[[Category: Evindar, G.]]		[[Category: Evindar, G]]
	[[Category: McDowell, W.]]		[[Category: McDowell, W]]
	[[Category: Mendoza-Losana, A.]]		[[Category: Mendoza-Losana, A]]
	[[Category: Neu, M.]]		[[Category: Neu, M]]
	[[Category: OKeefe, H.]]		[[Category: OKeefe, H]]
	[[Category: Pages, L B.]]		[[Category: Pages, L B]]
	[[Category: Elt]]		[[Category: Elt]]
	[[Category: Encoded library technology]]		[[Category: Encoded library technology]]

OCA at 06:43, 11 June 2014

2014-06-11T06:43:29Z

← Older revision		Revision as of 06:43, 11 June 2014
Line 1:		Line 1:
	~~{{STRUCTURE_4cod\| PDB=4cod \| SCENE= }}~~		==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===		<StructureSection load='4cod' size='340' side='right' caption='[[4cod]], [[Resolution\|resolution]] 2.40Å' scene=''>
	~~{{ABSTRACT_PUBMED_24450589}}~~		== Structural highlights ==
			<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>
			</td></tr><tr><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><br>
			<tr><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>
			<tr><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>
			<table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Tuberculosis (TB) is one of the world's oldest and deadliest diseases, killing a person every 20 s. InhA, the enoyl-ACP reductase from Mycobacterium tuberculosis, is the target of the frontline antitubercular drug isoniazid (INH). Compounds that directly target InhA and do not require activation by mycobacterial catalase peroxidase KatG are promising candidates for treating infections caused by INH resistant strains. The application of the encoded library technology (ELT) to the discovery of direct InhA inhibitors yielded compound 7 endowed with good enzymatic potency but with low antitubercular potency. This work reports the hit identification, the selected strategy for potency optimization, the structure-activity relationships of a hundred analogues synthesized, and the results of the in vivo efficacy studies performed with the lead compound 65.

	~~==About this Structure==~~		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.,Encinas L, O'Keefe H, Neu M, Remuinan MJ, Patel AM, Guardia A, Davie CP, Perez-Macias N, Yang H, Convery MA, Messer JA, Perez-Herran E, Centrella PA, Alvarez-Gomez D, Clark MA, Huss S, O'Donovan GK, Ortega-Muro F, McDowell W, Castaneda P, Arico-Muendel CC, Pajk S, Rullas J, Angulo-Barturen I, Alvarez-Ruiz E, Mendoza-Losana A, Ballell Pages L, Castro-Pichel J, Evindar G J Med Chem. 2014 Feb 5. PMID:24450589<ref>PMID:24450589</ref>
	~~[[4cod]] is~~ a ~~4 chain structure~~. ~~Full crystallographic information is available from [http~~://~~oca~~.~~weizmann~~.ac.il/~~oca-bin/ocashort?id=4COD OCA].~~
			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	==See Also==		==See Also==
	*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]		*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]
			== References ==
	==~~Reference~~==		<references/>
	~~<ref group="xtra">PMID:024450589</ref>~~<references ~~group="xtra"~~/><~~references~~/>		__TOC__
			</StructureSection>
	[[Category: Castro-Pichel, J.]]		[[Category: Castro-Pichel, J.]]
	[[Category: Convery, M A.]]		[[Category: Convery, M A.]]

OCA at 14:22, 12 March 2014

2014-03-12T14:22:43Z

← Older revision		Revision as of 14:22, 12 March 2014
Line 5:		Line 5:
	==About this Structure==		==About this Structure==
	[[4cod]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4COD OCA].		[[4cod]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4COD OCA].

			==See Also==
			*[[Enoyl-Acyl-Carrier Protein Reductase\|Enoyl-Acyl-Carrier Protein Reductase]]

	==Reference==		==Reference==

OCA at 05:08, 13 February 2014

2014-02-13T05:08:07Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+{{STRUCTURE_4cod|  PDB=4cod  |  SCENE=  }}
-The entry 4cod is ON HOLD
+==About this Structure==
-Authors: Encinas, L., OKeefe, H., Neu, M., Convery, M.A., McDowell, W., Mendoza-Losana, A., Pages, L.B., Castro-Pichel, J., Evindar, G.
+==Reference==
+<ref group="xtra">PMID:024450589</ref><references group="xtra"/><references/>
-Description: 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
+[[Category: Castro-Pichel, J.]]

OCA: Protected "4cod" [edit=sysop:move=sysop]

2014-02-05T09:51:02Z

Protected "4cod" [edit=sysop:move=sysop]

← Older revision	Revision as of 09:51, 5 February 2014
(No difference)