5o7n - Revision history

OCA at 19:10, 29 November 2023

2023-11-29T19:10:37Z

← Older revision		Revision as of 19:10, 29 November 2023
Line 3:		Line 3:
	<StructureSection load='5o7n' size='340' side='right'caption='[[5o7n]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='5o7n' size='340' side='right'caption='[[5o7n]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5o7n]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~"bacillus_pneumoniae"_(schroeter_1886)_flugge_1886 "bacillus~~ pneumoniae~~" (schroeter 1886) flugge 1886~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7N OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5O7N FirstGlance]. <br>		<table><tr><td colspan='2'>[[5o7n]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Klebsiella_pneumoniae Klebsiella pneumoniae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7N OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5O7N FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9NK:(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic+acid'>9NK</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</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]] 1.5Å</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaVIM-2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=573 "Bacillus pneumoniae" (Schroeter 1886) Flugge 1886])</td></tr>		<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=9NK:(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic+acid'>9NK</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</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=5o7n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7n OCA], [~~http~~://pdbe.org/5o7n PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5o7n RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5o7n PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7n 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=5o7n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7n OCA], [https://pdbe.org/5o7n PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5o7n RCSB], [https://www.ebi.ac.uk/pdbsum/5o7n PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7n ProSAT]</span></td></tr>
	</table>		</table>
			== Function ==
			[https://www.uniprot.org/uniprot/A0A173FE28_KLEPN A0A173FE28_KLEPN]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Klebsiella pneumoniae]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Buettner, D]]		[[Category: Buettner D]]
	[[Category: Kramer~~, J S~~]]		[[Category: Kramer JS]]
	[[Category: Pogoryelov, D]]		[[Category: Pogoryelov D]]
	[[Category: Proschak, E]]		[[Category: Proschak E]]
	~~[[Category: Beta-lactamase vim-2]]~~
	~~[[Category: Complex]]~~
	~~[[Category: Hydrolase]]~~
	~~[[Category: Inhibitor]]~~
	~~[[Category: Mbl~~]]

OCA at 06:27, 3 July 2019

2019-07-03T06:27:54Z

← Older revision		Revision as of 06:27, 3 July 2019
Line 1:		Line 1:

	==Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid==		==Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid==
	<StructureSection load='5o7n' size='340' side='right' caption='[[5o7n]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='5o7n' size='340' side='right'caption='[[5o7n]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5o7n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O7N FirstGlance]. <br>		<table><tr><td colspan='2'>[[5o7n]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/"bacillus_pneumoniae"_(schroeter_1886)_flugge_1886 "bacillus pneumoniae" (schroeter 1886) flugge 1886]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O7N FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9NK:(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic+acid'>9NK</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9NK:(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic+acid'>9NK</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</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-2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=573 "Bacillus pneumoniae" (Schroeter 1886) Flugge 1886])</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=5o7n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7n OCA], [http://pdbe.org/5o7n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o7n RCSB], [http://www.ebi.ac.uk/pdbsum/5o7n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7n 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=5o7n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7n OCA], [http://pdbe.org/5o7n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o7n RCSB], [http://www.ebi.ac.uk/pdbsum/5o7n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7n ProSAT]</span></td></tr>
	</table>		</table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Pathogens, expressing metallo-beta-lactamases (MBLs), become resistant against most beta-lactam antibiotics. Besides the dragging search for new antibiotics, development of MBL inhibitors would be an alternative weapon against resistant bacterial pathogens. Inhibition of resistance enzymes could restore the antibacterial activity of beta-lactams. Various approaches to MBL inhibitors are described; among others, the promising motif of a zinc coordinating thiol moiety is very popular. Nevertheless, since the first report of a thiol-based MBL inhibitor (thiomandelic acid) in 2001, no steps in development of thiol based MBL inhibitors were reported that go beyond clinical isolate testing. In this study, we report on the synthesis and biochemical characterization of thiol-based MBL inhibitors and highlight the challenges behind the development of thiol-based compounds, which exhibit good in vitro activity toward a broad spectrum of MBLs, selectivity against human off-targets, and reasonable activity against clinical isolates.

			Challenges in the Development of a Thiol-Based Broad-Spectrum Inhibitor for Metallo-beta-Lactamases.,Buttner D, Kramer JS, Klingler FM, Wittmann SK, Hartmann MR, Kurz CG, Kohnhauser D, Weizel L, Bruggerhoff A, Frank D, Steinhilber D, Wichelhaus TA, Pogoryelov D, Proschak E ACS Infect Dis. 2018 Mar 9;4(3):360-372. doi: 10.1021/acsinfecdis.7b00129. Epub, 2017 Dec 12. PMID:29172434<ref>PMID:29172434</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 5o7n" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
	[[Category: Buettner, D]]		[[Category: Buettner, D]]
	[[Category: Kramer, J S]]		[[Category: Kramer, J S]]

OCA at 05:38, 20 June 2018

2018-06-20T05:38:13Z

← Older revision		Revision as of 05:38, 20 June 2018
Line 1:		Line 1:
	~~'''Unreleased structure'''~~

	~~The entry~~ 5o7n is ~~ON HOLD until Paper Publication~~		==Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-carboxylic acid==
			<StructureSection load='5o7n' size='340' side='right' caption='[[5o7n]], [[Resolution\|resolution]] 1.50Å' scene=''>
	~~Authors~~:		== Structural highlights ==
			<table><tr><td colspan='2'>[[5o7n]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5O7N OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5O7N FirstGlance]. <br>
	~~Description~~:		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=9NK:(2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic+acid'>9NK</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	[[Category: ~~Unreleased Structures~~]]		<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=5o7n FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5o7n OCA], [http://pdbe.org/5o7n PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5o7n RCSB], [http://www.ebi.ac.uk/pdbsum/5o7n PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5o7n ProSAT]</span></td></tr>
			</table>
			__TOC__
			</StructureSection>
			[[Category: Buettner, D]]
			[[Category: Kramer, J S]]
			[[Category: Pogoryelov, D]]
			[[Category: Proschak, E]]
			[[Category: Beta-lactamase vim-2]]
			[[Category: Complex]]
			[[Category: Hydrolase]]
			[[Category: Inhibitor]]
			[[Category: Mbl]]

OCA: Protected "5o7n" [edit=sysop:move=sysop]

2017-09-27T12:07:07Z

Protected "5o7n" [edit=sysop:move=sysop]

← Older revision	Revision as of 12:07, 27 September 2017
(No difference)

OCA: New page: '''Unreleased structure''' The entry 5o7n is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

2017-09-27T12:07:06Z

New page: '''Unreleased structure''' The entry 5o7n is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5o7n is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]