5k48 - Revision history

OCA at 10:39, 27 September 2023

OCA — Wed, 27 Sep 2023 10:39:19 GMT

←Older revision		Revision as of 10:39, 27 September 2023
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	==VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid==		==VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid==
-	<StructureSection load='5k48' size='340' side='right' caption='[[5k48]], [[Resolution\|resolution]] 1.74Å' scene=''>	+	<StructureSection load='5k48' size='340' side='right'caption='[[5k48]], [[Resolution\|resolution]] 1.74Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5k48]] is a 2 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=5K48 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5K48 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5k48]] is a 2 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=5K48 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5K48 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=S5Z:4-phenyl-2-(sulfanylmethyl)benzoic+acid'>S5Z</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]] 1.744Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaVIM-2, bla vim-2, bla-VIM-2, blasVIM-2, blaVIM2, blm, VIM-2, vim-2, PAERUG_P32_London_17_VIM_2_10_11_06255 ([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=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=S5Z:4-phenyl-2-(sulfanylmethyl)benzoic+acid'>S5Z</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~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5k48 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k48 OCA], [~~http~~://pdbe.org/5k48 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5k48 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5k48 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5k48 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=5k48 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k48 OCA], [https://pdbe.org/5k48 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5k48 RCSB], [https://www.ebi.ac.uk/pdbsum/5k48 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5k48 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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	</div>		</div>
	<div class="pdbe-citations 5k48" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5k48" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Brem, J~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~McDonough, M~~]]	+	[[Category: Pseudomonas aeruginosa]]
-	[[Category: ~~Schofield, C~~]]	+	[[Category: Brem J]]
-	[[Category: ~~Zollman, D~~]]	+	[[Category: McDonough M]]
-	[[Category: ~~Antibiotic resistance~~]]	+	[[Category: Schofield C]]
-	[[Category: ~~Carbapenamase. inhibitor]]~~	+	[[Category: Zollman D]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Metallo beta-lactamase~~]]	+

OCA at 08:07, 17 January 2018

OCA — Wed, 17 Jan 2018 08:07:58 GMT

←Older revision		Revision as of 08:07, 17 January 2018
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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=5k48 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k48 OCA], [http://pdbe.org/5k48 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5k48 RCSB], [http://www.ebi.ac.uk/pdbsum/5k48 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5k48 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=5k48 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k48 OCA], [http://pdbe.org/5k48 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5k48 RCSB], [http://www.ebi.ac.uk/pdbsum/5k48 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5k48 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Zinc ion-dependent beta-lactamases (MBLs) catalyze the hydrolysis of almost all beta-lactam antibiotics and resist the action of clinically available beta-lactamase inhibitors. We report how application of in silico fragment-based molecular design employing thiol-mediated metal anchorage leads to potent MBL inhibitors. The new inhibitors manifest potent inhibition of clinically important B1 subfamily MBLs, including the widespread NDM-1, IMP-1, and VIM-2 enzymes; with lower potency, some of them also inhibit clinically relevant Class A and D serine-beta-lactamases. The inhibitors show selectivity for bacterial MBL enzymes compared to that for human MBL fold nucleases. Cocrystallization of one inhibitor, which shows potentiation of Meropenem activity against MBL-expressing Enterobacteriaceae, with VIM-2 reveals an unexpected binding mode, involving interactions with residues from conserved active site bordering loops.
		+
		+	In Silico Fragment-Based Design Identifies Subfamily B1 Metallo-beta-lactamase Inhibitors.,Cain R, Brem J, Zollman D, McDonough MA, Johnson RM, Spencer J, Makena A, Abboud MI, Cahill S, Lee SY, McHugh PJ, Schofield CJ, Fishwick CWG J Med Chem. 2018 Jan 10. doi: 10.1021/acs.jmedchem.7b01728. PMID:29271657<ref>PMID:29271657</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5k48" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 10:43, 16 November 2017

OCA — Thu, 16 Nov 2017 10:43:49 GMT

←Older revision		Revision as of 10:43, 16 November 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5k48 is ~~ON HOLD until Paper Publication~~	+	==VIM-2 Metallo Beta Lactamase in complex with 3-(mercaptomethyl)-[1,1'-biphenyl]-4-carboxylic acid==
-		+	<StructureSection load='5k48' size='340' side='right' caption='[[5k48]], [[Resolution\|resolution]] 1.74Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5k48]] is a 2 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=5K48 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5K48 FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=S5Z:4-phenyl-2-(sulfanylmethyl)benzoic+acid'>S5Z</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaVIM-2, bla vim-2, bla-VIM-2, blasVIM-2, blaVIM2, blm, VIM-2, vim-2, PAERUG_P32_London_17_VIM_2_10_11_06255 ([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://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5k48 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5k48 OCA], [http://pdbe.org/5k48 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5k48 RCSB], [http://www.ebi.ac.uk/pdbsum/5k48 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5k48 ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Brem, J]]
		+	[[Category: McDonough, M]]
		+	[[Category: Schofield, C]]
		+	[[Category: Zollman, D]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Carbapenamase. inhibitor]]
		+	[[Category: Hydrolase]]
		+	[[Category: Metallo beta-lactamase]]

OCA: Protected "5k48" [edit=sysop:move=sysop]

OCA — Wed, 01 Jun 2016 14:18:12 GMT

Protected "5k48" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:18, 1 June 2016

OCA: New page: '''Unreleased structure''' The entry 5k48 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

OCA — Wed, 01 Jun 2016 14:18:11 GMT

New page: '''Unreleased structure''' The entry 5k48 is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5k48 is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]