6vhs - Revision history

OCA at 08:12, 11 October 2023

2023-10-11T08:12:52Z

←Older revision		Revision as of 08:12, 11 October 2023
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	<StructureSection load='6vhs' size='340' side='right'caption='[[6vhs]], [[Resolution\|resolution]] 1.28Å' scene=''>		<StructureSection load='6vhs' size='340' side='right'caption='[[6vhs]], [[Resolution\|resolution]] 1.28Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6vhs]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_coli"_migula_1895 "bacillus~~ coli~~" migula 1895~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VHS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6VHS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vhs]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli Escherichia coli]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VHS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VHS FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>~~, ~~<scene name='pdbligand=X57:(2R)-({~~[~~(3R,6S)-6-carbamoyl-~~1~~-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic+acid'>X57</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]] 1.28Å</td></tr>
-	<tr id='~~NonStdRes~~'><td class="sblockLbl"><b>[[~~Non-Standard_Residue~~\|~~NonStd Res~~:]]</b></td><td class="sblockDat"><scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene><~~/td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=X57:(2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic+acid'>X57</scene></td></tr>
-	~~<tr id~~='~~gene'><td class~~=~~"sblockLbl"><b>[[Gene\|Gene~~:~~]]</b~~></td><~~td class~~=~~"sblockDat">blaCTX~~-~~M-14~~ ([~~http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895]~~)~~</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=6vhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vhs OCA], [https://pdbe.org/6vhs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vhs RCSB], [https://www.ebi.ac.uk/pdbsum/6vhs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vhs ProSAT]</span></td></tr>
-	~~<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta~~-~~lactamase Beta~~-~~lactamase]~~, ~~with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=~~3~~.5.2.~~6 3~~.5.2.6~~] </~~span~~></td></tr>	+
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6vhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vhs OCA], [~~http~~://pdbe.org/6vhs PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6vhs RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6vhs PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6vhs ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q9L5C7_ECOLX Q9L5C7_ECOLX]
	<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: ~~Bacillus~~ coli ~~migula 1895]]~~	+	[[Category: Escherichia coli]]
-	~~[[Category: Beta-lactamase~~]]	+
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chen, Y]]	+	[[Category: Chen Y]]
-	[[Category: Sacco~~, M D]]~~	+	[[Category: Sacco MD]]
-	~~[[Category: Avibactam]]~~	+
-	~~[[Category: B-lactamase]]~~	+
-	~~[[Category: Ctx-m-14]]~~	+
-	~~[[Category: Dbo]]~~	+
-	~~[[Category: Etx-3517]]~~	+
-	~~[[Category: Etx3517]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 10:12, 16 September 2020

2020-09-16T10:12:35Z

←Older revision		Revision as of 10:12, 16 September 2020
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-	==CTX-M-14 in complex with ~~ETX317~~==	+	==Crystal structure of CTX-M-14 in complex with beta-lactamase inhibitor ETX1317==
-	<StructureSection load='6vhs' size='340' side='right'caption='[[6vhs]]' scene=''>	+	<StructureSection load='6vhs' size='340' side='right'caption='[[6vhs]], [[Resolution\|resolution]] 1.28Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VHS OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VHS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vhs]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_coli"_migula_1895 "bacillus coli" migula 1895]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VHS OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VHS FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vhs OCA], [http://pdbe.org/6vhs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vhs RCSB], [http://www.ebi.ac.uk/pdbsum/6vhs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vhs ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene>, <scene name='pdbligand=X57:(2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic+acid'>X57</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=PCA:PYROGLUTAMIC+ACID'>PCA</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaCTX-M-14 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=562 "Bacillus coli" Migula 1895])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Beta-lactamase Beta-lactamase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.5.2.6 3.5.2.6] </span></td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vhs OCA], [http://pdbe.org/6vhs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vhs RCSB], [http://www.ebi.ac.uk/pdbsum/6vhs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vhs ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Multidrug resistant Gram-negative bacterial infections are an increasing public health threat due to rapidly rising resistance toward beta-lactam antibiotics. The hydrolytic enzymes called beta-lactamases are responsible for a large proportion of the resistance phenotype. beta-Lactamase inhibitors (BLIs) can be administered in combination with beta-lactam antibiotics to negate the action of the beta-lactamases, thereby restoring activity of the beta-lactam. Newly developed BLIs offer some advantage over older BLIs in terms of enzymatic spectrum but are limited to the intravenous route of administration. Reported here is a novel, orally bioavailable diazabicyclooctane (DBO) beta-lactamase inhibitor. This new DBO, ETX1317, contains an endocyclic carbon-carbon double bond and a fluoroacetate activating group and exhibits broad spectrum activity against class A, C, and D serine beta-lactamases. The ester prodrug of ETX1317, ETX0282, is orally bioavailable and, in combination with cefpodoxime proxetil, is currently in development as an oral therapy for multidrug resistant and carbapenem-resistant Enterobacterales infections.
		+
		+	Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine beta-Lactamases.,Durand-Reville TF, Comita-Prevoir J, Zhang J, Wu X, May-Dracka TL, Romero JAC, Wu F, Chen A, Shapiro AB, Carter NM, McLeod SM, Giacobbe RA, Verheijen JC, Lahiri SD, Sacco MD, Chen Y, O'Donnell JP, Miller AA, Mueller JP, Tommasi RA J Med Chem. 2020 Jul 24. doi: 10.1021/acs.jmedchem.0c00579. PMID:32658473<ref>PMID:32658473</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6vhs" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Bacillus coli migula 1895]]
		+	[[Category: Beta-lactamase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Chen Y]]	+	[[Category: Chen, Y]]
-	[[Category: Sacco MD]]	+	[[Category: Sacco, M D]]
		+	[[Category: Avibactam]]
		+	[[Category: B-lactamase]]
		+	[[Category: Ctx-m-14]]
		+	[[Category: Dbo]]
		+	[[Category: Etx-3517]]
		+	[[Category: Etx3517]]
		+	[[Category: Hydrolase]]

OCA at 11:16, 26 August 2020

2020-08-26T11:16:22Z

←Older revision		Revision as of 11:16, 26 August 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6vhs ~~is ON HOLD until Paper Publication~~	+	==CTX-M-14 in complex with ETX317==
-		+	<StructureSection load='6vhs' size='340' side='right'caption='[[6vhs]]' scene=''>
-	~~Authors~~: ~~Sacco~~, M.D., ~~Chen~~, Y.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VHS OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VHS FirstGlance]. <br>
-	~~Description~~: ~~CTX~~-~~M-14 in complex with ETX317~~	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vhs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vhs OCA], [http://pdbe.org/6vhs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vhs RCSB], [http://www.ebi.ac.uk/pdbsum/6vhs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vhs ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
-	[[Category: ~~Sacco, M.D~~]]	+	__TOC__
-	[[Category: ~~Chen, Y~~]]	+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Chen Y]]
		+	[[Category: Sacco MD]]

OCA at 04:11, 22 April 2020

2020-04-22T04:11:04Z

←Older revision		Revision as of 04:11, 22 April 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6vhs is ON HOLD	+	The entry 6vhs is ON HOLD until Paper Publication

	Authors: Sacco, M.D., Chen, Y.		Authors: Sacco, M.D., Chen, Y.

OCA: Protected "6vhs" [edit=sysop:move=sysop]

2020-01-22T14:29:26Z

Protected "6vhs" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:29, 22 January 2020

OCA: New page: '''Unreleased structure''' The entry 6vhs is ON HOLD Authors: Sacco, M.D., Chen, Y. Description: CTX-M-14 in complex with ETX317 Category: Unreleased Structures [[Category: Sacco, ...

2020-01-22T14:29:24Z

New page: '''Unreleased structure''' The entry 6vhs is ON HOLD Authors: Sacco, M.D., Chen, Y. Description: CTX-M-14 in complex with ETX317 Category: Unreleased Structures [[Category: Sacco, ...

New page

'''Unreleased structure'''

The entry 6vhs is ON HOLD

Authors: Sacco, M.D., Chen, Y.

Description: CTX-M-14 in complex with ETX317
[[Category: Unreleased Structures]]
[[Category: Sacco, M.D]]
[[Category: Chen, Y]]