6zgm - Revision history

OCA at 13:49, 24 January 2024

OCA — Wed, 24 Jan 2024 13:49:08 GMT

←Older revision		Revision as of 13:49, 24 January 2024
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	<StructureSection load='6zgm' size='340' side='right'caption='[[6zgm]], [[Resolution\|resolution]] 1.65Å' scene=''>		<StructureSection load='6zgm' size='340' side='right'caption='[[6zgm]], [[Resolution\|resolution]] 1.65Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6zgm]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZGM OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6ZGM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6zgm]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa Pseudomonas aeruginosa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZGM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6ZGM FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=QKK:5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic+acid'>QKK</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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]] 1.65Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaVIM ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=QKK:5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic+acid'>QKK</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=6zgm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zgm OCA], [~~http~~://pdbe.org/6zgm PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6zgm RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6zgm PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6zgm 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=6zgm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zgm OCA], [https://pdbe.org/6zgm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6zgm RCSB], [https://www.ebi.ac.uk/pdbsum/6zgm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6zgm ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/Q9K2N0_PSEAI Q9K2N0_PSEAI]
	<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: ~~Benvenuti, M~~]]	+	[[Category: Pseudomonas aeruginosa]]
-	[[Category: ~~Docquier, J D~~]]	+	[[Category: Benvenuti M]]
-	[[Category: Luca, F De]]	+	[[Category: De Luca F]]
-	[[Category: ~~Mangani, S~~]]	+	[[Category: Docquier JD]]
-	[[Category: ~~Marcoccia, F~~]]	+	[[Category: Mangani S]]
-	[[Category: ~~Pozzi, C~~]]	+	[[Category: Marcoccia F]]
-	[[Category: ~~Antibiotic resistance]]~~	+	[[Category: Pozzi C]]
-	~~[[Category: Carbapenem-hydrolyzing beta-lactamase]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Metallo-beta-lactamase]]~~	+
-	~~[[Category: Triazole-thione inhibitor~~]]	+

OCA at 11:35, 23 September 2020

OCA — Wed, 23 Sep 2020 11:35:40 GMT

←Older revision		Revision as of 11:35, 23 September 2020
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	==Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681==		==Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681==
-	<StructureSection load='6zgm' size='340' side='right'caption='[[6zgm]]' scene=''>	+	<StructureSection load='6zgm' size='340' side='right'caption='[[6zgm]], [[Resolution\|resolution]] 1.65Å' 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=6ZGM OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZGM FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6zgm]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_aeruginosus"_(schroeter_1872)_trevisan_1885 "bacillus aeruginosus" (schroeter 1872) trevisan 1885]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZGM OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZGM 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=6zgm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zgm OCA], [http://pdbe.org/6zgm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zgm RCSB], [http://www.ebi.ac.uk/pdbsum/6zgm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zgm 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=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=QKK:5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic+acid'>QKK</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaVIM ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=287 "Bacillus aeruginosus" (Schroeter 1872) Trevisan 1885])</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=6zgm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zgm OCA], [http://pdbe.org/6zgm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zgm RCSB], [http://www.ebi.ac.uk/pdbsum/6zgm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zgm ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The clinical effectiveness of the important beta-lactam class of antibiotics is under threat by the emergence of resistance, mostly due to the production of acquired serine- (SBL) and metallo-beta-lactamase (MBL) enzymes. To address this resistance issue, multiple beta-lactam/beta-lactamase inhibitor combinations have been successfully introduced into the clinic over the past several decades. However, all of those combinations contain SBL inhibitors and, as yet, there are no MBL inhibitors in clinical use. Consequently, there exists an unaddressed yet growing healthcare problem due to the rise in recent years of highly resistant strains which produce New Delhi metallo (NDM)-type metallo-carbapenemases. Previously, we reported the characterization of an advanced MBL inhibitor lead compound, ANT431. Herein, we discuss the completion of a lead optimization campaign culminating in the discovery of the preclinical candidate ANT2681, a potent NDM inhibitor with strong potential for clinical development.
		+
		+	ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-Producing Enterobacteriaceae.,Davies DT, Leiris S, Sprynski N, Castandet J, Lozano C, Bousquet J, Zalacain M, Vasa S, Dasari PK, Pattipati R, Vempala N, Gujjewar S, Godi S, Jallala R, Sathyap RR, Darshanoju NA, Ravu VR, Juventhala RR, Pottabathini N, Sharma S, Pothukanuri S, Holden K, Warn P, Marcoccia F, Benvenuti M, Pozzi C, Mangani S, Docquier JD, Lemonnier M, Everett M ACS Infect Dis. 2020 Aug 20. doi: 10.1021/acsinfecdis.0c00207. PMID:32786279<ref>PMID:32786279</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6zgm" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Benvenuti M]]	+	[[Category: Benvenuti, M]]
-	[[Category: ~~De Luca F~~]]	+	[[Category: Docquier, J D]]
-	[[Category: ~~Docquier JD~~]]	+	[[Category: Luca, F De]]
-	[[Category: Mangani S]]	+	[[Category: Mangani, S]]
-	[[Category: Marcoccia F]]	+	[[Category: Marcoccia, F]]
-	[[Category: Pozzi C]]	+	[[Category: Pozzi, C]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Carbapenem-hydrolyzing beta-lactamase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Metallo-beta-lactamase]]
		+	[[Category: Triazole-thione inhibitor]]

OCA at 06:53, 2 September 2020

OCA — Wed, 02 Sep 2020 06:53:36 GMT

←Older revision		Revision as of 06:53, 2 September 2020
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-	'''Unreleased structure'''

-	~~The entry~~ 6zgm is ~~ON HOLD until Paper Publication~~	+	==Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681==
-		+	<StructureSection load='6zgm' size='340' side='right'caption='[[6zgm]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6ZGM OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6ZGM FirstGlance]. <br>
-	~~Description~~:	+	</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=6zgm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6zgm OCA], [http://pdbe.org/6zgm PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6zgm RCSB], [http://www.ebi.ac.uk/pdbsum/6zgm PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6zgm ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Benvenuti M]]
		+	[[Category: De Luca F]]
		+	[[Category: Docquier JD]]
		+	[[Category: Mangani S]]
		+	[[Category: Marcoccia F]]
		+	[[Category: Pozzi C]]

OCA at 07:58, 22 July 2020

OCA — Wed, 22 Jul 2020 07:58:50 GMT

←Older revision		Revision as of 07:58, 22 July 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 24 Jun 2020 18:48:25 GMT

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

←Older revision

Revision as of 18:48, 24 June 2020

OCA: New page: '''Unreleased structure''' The entry 6zgm is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 24 Jun 2020 18:48:24 GMT

New page: '''Unreleased structure''' The entry 6zgm is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6zgm is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]