5oit - Revision history

OCA at 16:51, 13 December 2023

2023-12-13T16:51:18Z

← Older revision		Revision as of 16:51, 13 December 2023
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	==InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine==		==InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine==
	<StructureSection load='5oit' size='340' side='right' caption='[[5oit]], [[Resolution\|resolution]] 2.58Å' scene=''>		<StructureSection load='5oit' size='340' side='right'caption='[[5oit]], [[Resolution\|resolution]] 2.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5oit]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OIT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[5oit]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OIT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5OIT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9WH:5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine'>9WH</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]] 2.58Å</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">inhA, Rv1484, MTCY277.05 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9WH:5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine'>9WH</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=5oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5oit OCA], [https://pdbe.org/5oit PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5oit RCSB], [https://www.ebi.ac.uk/pdbsum/5oit PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5oit 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=5oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5oit OCA], [~~http~~://pdbe.org/5oit PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5oit RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5oit PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5oit 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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	</div>		</div>
	<div class="pdbe-citations 5oit" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5oit" 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: ~~Myctu~~]]		[[Category: Large Structures]]
	[[Category: ~~Convery, M A~~]]		[[Category: Mycobacterium tuberculosis H37Rv]]
	[[Category: ~~Complex]]~~		[[Category: Convery MA]]
	~~[[Category: Fragment based drug discovery]]~~
	~~[[Category: Inhibitor]]~~
	~~[[Category: Oxidoreductase]]~~
	~~[[Category: Tuberculosis~~]]

OCA at 06:29, 18 April 2018

2018-04-18T06:29:04Z

← Older revision		Revision as of 06:29, 18 April 2018
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	<StructureSection load='5oit' size='340' side='right' caption='[[5oit]], [[Resolution\|resolution]] 2.58Å' scene=''>		<StructureSection load='5oit' size='340' side='right' caption='[[5oit]], [[Resolution\|resolution]] 2.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5oit]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5OIT FirstGlance]. <br>		<table><tr><td colspan='2'>[[5oit]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5OIT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5OIT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9WH:5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine'>9WH</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=9WH:5-[(5-azanyl-3-methyl-pyrazol-1-yl)methyl]-~{N}-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-1,3,4-thiadiazol-2-amine'>9WH</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">inhA, Rv1484, MTCY277.05 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</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=5oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5oit OCA], [http://pdbe.org/5oit PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5oit RCSB], [http://www.ebi.ac.uk/pdbsum/5oit PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5oit 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=5oit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5oit OCA], [http://pdbe.org/5oit PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5oit RCSB], [http://www.ebi.ac.uk/pdbsum/5oit PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5oit ProSAT]</span></td></tr>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Myctu]]
	[[Category: Convery, M A]]		[[Category: Convery, M A]]
	[[Category: Complex]]		[[Category: Complex]]

OCA at 06:27, 15 February 2018

2018-02-15T06:27:12Z

@@ Line 1: / Line 1: @@
-The entry 5oit is ON HOLD  until Paper Publication
+==InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine==
-Authors: Convery, M.A.
+Screening of a novel fragment library with functional complexity against Mycobacterium tuberculosis InhA.,Prati F, Zuccotto F, Fletcher D, Convery MA, Fernandez-Menendez R, Bates R, Encinas L, Zeng J, Chung CW, De Dios Anton P, Mendoza-Losana A, Mackenzie C, Green SR, Huggett M, Barros D, Wyatt PG, Ray PC ChemMedChem. 2018 Feb 5. doi: 10.1002/cmdc.201700774. PMID:29399991<ref>PMID:29399991</ref>
-Description: InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-[[Category: Unreleased Structures]]
+</div>
-[[Category: Convery, M.A]]
+<div class="pdbe-citations 5oit" style="background-color:#fffaf0;"></div>

OCA: Protected "5oit" [edit=sysop:move=sysop]

2017-09-27T12:28:42Z

Protected "5oit" [edit=sysop:move=sysop]

← Older revision	Revision as of 12:28, 27 September 2017
(No difference)

OCA: New page: '''Unreleased structure''' The entry 5oit is ON HOLD until Paper Publication Authors: Convery, M.A. Description: InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)m...

2017-09-27T12:28:40Z

New page: '''Unreleased structure''' The entry 5oit is ON HOLD until Paper Publication Authors: Convery, M.A. Description: InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)m...

New page

'''Unreleased structure'''

The entry 5oit is ON HOLD until Paper Publication

Authors: Convery, M.A.

Description: InhA (T2A mutant) complexed with 5-((5-Amino-3-methyl-1H-pyrazol-1-yl)methyl)-N-(1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl)-1,3,4-thiadiazol-2-amine
[[Category: Unreleased Structures]]
[[Category: Convery, M.A]]