5lcf - Revision history

OCA at 08:56, 11 October 2023

2023-10-11T08:56:08Z

←Older revision		Revision as of 08:56, 11 October 2023
Line 3:		Line 3:
	<StructureSection load='5lcf' size='340' side='right'caption='[[5lcf]], [[Resolution\|resolution]] 1.86Å' scene=''>		<StructureSection load='5lcf' size='340' side='right'caption='[[5lcf]], [[Resolution\|resolution]] 1.86Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lcf]] 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=5LCF OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5LCF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lcf]] 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=5LCF OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LCF FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6TJ:3-OXIDANYLIDENE-2-PHENYL-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>6TJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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]] 1.86Å</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=6TJ:3-OXIDANYLIDENE-2-PHENYL-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>6TJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [~~http~~://pdbe.org/5lcf PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf 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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [https://pdbe.org/5lcf PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [https://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf 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: ~~Antibiotic resistance~~]]	+	[[Category: Schofield CJ]]
-	[[Category: ~~Complex~~]]	+
-	[[Category: ~~Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Metallo-beta-lactamase~~]]	+

OCA at 07:06, 5 August 2020

2020-08-05T07:06:57Z

←Older revision		Revision as of 07:06, 5 August 2020
Line 1:		Line 1:

	==VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30)==		==VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30)==
-	<StructureSection load='5lcf' size='340' side='right' caption='[[5lcf]], [[Resolution\|resolution]] 1.86Å' scene=''>	+	<StructureSection load='5lcf' size='340' side='right'caption='[[5lcf]], [[Resolution\|resolution]] 1.86Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lcf]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LCF OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LCF FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lcf]] 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=5LCF OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LCF FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6TJ:3-OXIDANYLIDENE-2-PHENYL-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>6TJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=6TJ:3-OXIDANYLIDENE-2-PHENYL-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>6TJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [http://pdbe.org/5lcf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [http://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf 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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [http://pdbe.org/5lcf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [http://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf 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 07:18, 24 May 2017

2017-05-24T07:18:45Z

←Older revision		Revision as of 07:18, 24 May 2017
Line 7:		Line 7:
	<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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [http://pdbe.org/5lcf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [http://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf 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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [http://pdbe.org/5lcf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [http://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf 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 5lcf" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Beta-lactamase\|Beta-lactamase]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 17:41, 10 March 2017

2017-03-10T17:41:45Z

←Older revision		Revision as of 17:41, 10 March 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 5lcf is ON HOLD until Paper Publication~~	+	==VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid (compound 30)==
-		+	<StructureSection load='5lcf' size='340' side='right' caption='[[5lcf]], [[Resolution\|resolution]] 1.86Å' scene=''>
-	~~Authors: Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5lcf]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LCF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LCF FirstGlance]. <br>
-	~~Description:~~ VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6TJ:3-OXIDANYLIDENE-2-PHENYL-1~{H}-ISOINDOLE-4-CARBOXYLIC+ACID'>6TJ</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</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=5lcf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lcf OCA], [http://pdbe.org/5lcf PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lcf RCSB], [http://www.ebi.ac.uk/pdbsum/5lcf PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lcf ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Li, G~~.-B]]	+	</table>
-	[[~~Category~~: ~~Mcdonough~~, M.A]]	+	__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: Antibiotic resistance]]
		+	[[Category: Complex]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Metallo-beta-lactamase]]

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

2016-07-13T00:58:08Z

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

←Older revision

Revision as of 00:58, 13 July 2016

OCA: New page: '''Unreleased structure''' The entry 5lcf is ON HOLD until Paper Publication Authors: Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J. Description: VIM-2 metallo-beta-lactamase in...

2016-07-13T00:58:07Z

New page: '''Unreleased structure''' The entry 5lcf is ON HOLD until Paper Publication Authors: Li, G.-B., Brem, J., McDonough, M.A., Schofield, C.J. Description: VIM-2 metallo-beta-lactamase in...

New page

'''Unreleased structure'''

The entry 5lcf is ON HOLD until Paper Publication

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

Description: VIM-2 metallo-beta-lactamase in complex with 3-oxo-2-phenylisoindoline-4-carboxylic acid
[[Category: Unreleased Structures]]
[[Category: Li, G.-B]]
[[Category: Mcdonough, M.A]]
[[Category: Schofield, C.J]]
[[Category: Brem, J]]