5lm6 - Revision history

OCA at 18:34, 18 October 2023

OCA — Wed, 18 Oct 2023 18:34:14 GMT

←Older revision		Revision as of 18:34, 18 October 2023
Line 3:		Line 3:
	<StructureSection load='5lm6' size='340' side='right'caption='[[5lm6]], [[Resolution\|resolution]] 1.17Å' scene=''>		<StructureSection load='5lm6' size='340' side='right'caption='[[5lm6]], [[Resolution\|resolution]] 1.17Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lm6]] 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=5LM6 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5LM6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lm6]] 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=5LM6 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LM6 FirstGlance]. <br>
-	</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=H32:2-(3-FLUORANYL-4-OXIDANYL-PHENYL)-3-OXIDANYLIDENE-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>H32</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]] 1.17Å</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=H32:2-(3-FLUORANYL-4-OXIDANYL-PHENYL)-3-OXIDANYLIDENE-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>H32</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=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [~~http~~://pdbe.org/5lm6 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 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=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [https://pdbe.org/5lm6 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [https://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 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 ==
Line 25:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Brem, J]]	+	[[Category: Pseudomonas aeruginosa]]
-	[[Category: Li, G B]]	+	[[Category: Brem J]]
-	[[Category: McDonough~~, M A~~]]	+	[[Category: Li G-B]]
-	[[Category: Schofield~~, C J~~]]	+	[[Category: McDonough MA]]
-	[[Category: Someya, H]]	+	[[Category: Schofield CJ]]
-	~~[[Category: Antibiotic resistance]]~~	+	[[Category: Someya H]]
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Metallo-beta-lactamase~~]]	+

OCA at 10:42, 12 August 2020

OCA — Wed, 12 Aug 2020 10:42:17 GMT

←Older revision		Revision as of 10:42, 12 August 2020
Line 1:		Line 1:

	==VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35)==		==VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35)==
-	<StructureSection load='5lm6' size='340' side='right' caption='[[5lm6]], [[Resolution\|resolution]] 1.17Å' scene=''>	+	<StructureSection load='5lm6' size='340' side='right'caption='[[5lm6]], [[Resolution\|resolution]] 1.17Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lm6]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LM6 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LM6 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lm6]] 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=5LM6 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LM6 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=H32:2-(3-FLUORANYL-4-OXIDANYL-PHENYL)-3-OXIDANYLIDENE-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>H32</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" id="ligandDat"><scene name='pdbligand=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=H32:2-(3-FLUORANYL-4-OXIDANYL-PHENYL)-3-OXIDANYLIDENE-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>H32</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=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [http://pdbe.org/5lm6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [http://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 ProSAT]</span></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='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [http://pdbe.org/5lm6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [http://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
Line 18:		Line 19:

	==See Also==		==See Also==
-	*[[Beta-lactamase\|Beta-lactamase]]	+	*[[Beta-lactamase 3D structures\|Beta-lactamase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Brem, J]]		[[Category: Brem, J]]
	[[Category: Li, G B]]		[[Category: Li, G B]]

OCA at 07:08, 24 May 2017

OCA — Wed, 24 May 2017 07:08:48 GMT

←Older revision		Revision as of 07:08, 24 May 2017
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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=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [http://pdbe.org/5lm6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [http://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 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=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [http://pdbe.org/5lm6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [http://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	There are no clinically useful inhibitors of metallo-beta-lactamases (MBLs), which are a growing problem because they hydrolyse almost all beta-lactam antibacterials. Inhibition by most reported MBL inhibitors involves zinc ion chelation. A structure-based virtual screening approach combined with NMR filtering led to the identification of inhibitors of the clinically relevant Verona Integron-encoded MBL (VIM)-2. Crystallographic analyses reveal a new mode of MBL inhibition involving binding adjacent to the active site zinc ions, but which does not involve metal chelation. The results will aid efforts to develop new types of clinically useful inhibitors targeting MBLs/MBL-fold metallo-enzymes involved in antibacterial and anticancer drug resistance.
		+
		+	NMR-filtered virtual screening leads to non-metal chelating metallo-beta-lactamase inhibitors.,Li GB, Abboud MI, Brem J, Someya H, Lohans CT, Yang SY, Spencer J, Wareham DW, McDonough MA, Schofield CJ Chem Sci. 2017 Feb 1;8(2):928-937. doi: 10.1039/c6sc04524c. Epub 2016 Dec 14. PMID:28451231<ref>PMID:28451231</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5lm6" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 17:42, 10 March 2017

OCA — Fri, 10 Mar 2017 17:42:10 GMT

←Older revision		Revision as of 17:42, 10 March 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 5lm6 is ON HOLD~~	+	==VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (compound 35)==
-		+	<StructureSection load='5lm6' size='340' side='right' caption='[[5lm6]], [[Resolution\|resolution]] 1.17Å' scene=''>
-	~~Authors: Li, G-B., Brem, J., Someya, H., McDonough, M.A., Schofield, C.J.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5lm6]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LM6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LM6 FirstGlance]. <br>
-	~~Description:~~ VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (35)	+	</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=H32:2-(3-FLUORANYL-4-OXIDANYL-PHENYL)-3-OXIDANYLIDENE-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>H32</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=5lm6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lm6 OCA], [http://pdbe.org/5lm6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lm6 RCSB], [http://www.ebi.ac.uk/pdbsum/5lm6 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lm6 ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Mcdonough, M~~.A]]	+	</table>
-	[[~~Category~~: Li, G-B]]	+	__TOC__
-	[[~~Category~~: ~~Schofield~~, C.J]]	+	</StructureSection>
	[[Category: Brem, J]]		[[Category: Brem, J]]
		+	[[Category: Li, G B]]
		+	[[Category: McDonough, M A]]
		+	[[Category: Schofield, C J]]
	[[Category: Someya, H]]		[[Category: Someya, H]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Metallo-beta-lactamase]]

OCA: Protected "5lm6" [edit=sysop:move=sysop]

OCA — Thu, 04 Aug 2016 02:59:48 GMT

Protected "5lm6" [edit=sysop:move=sysop]

←Older revision

Revision as of 02:59, 4 August 2016

OCA: New page: '''Unreleased structure''' The entry 5lm6 is ON HOLD Authors: Li, G-B., Brem, J., Someya, H., McDonough, M.A., Schofield, C.J. Description: VIM-2 metallo-beta-lactamase in complex with...

OCA — Thu, 04 Aug 2016 02:59:47 GMT

New page: '''Unreleased structure''' The entry 5lm6 is ON HOLD Authors: Li, G-B., Brem, J., Someya, H., McDonough, M.A., Schofield, C.J. Description: VIM-2 metallo-beta-lactamase in complex with...

New page

'''Unreleased structure'''

The entry 5lm6 is ON HOLD

Authors: Li, G-B., Brem, J., Someya, H., McDonough, M.A., Schofield, C.J.

Description: VIM-2 metallo-beta-lactamase in complex with 2-(3-fluoro-4-hydroxyphenyl)-3-oxoisoindoline-4-carboxylic acid (35)
[[Category: Unreleased Structures]]
[[Category: Mcdonough, M.A]]
[[Category: Li, G-B]]
[[Category: Schofield, C.J]]
[[Category: Brem, J]]
[[Category: Someya, H]]