5lsc - Revision history

OCA at 18:44, 18 October 2023

OCA — Wed, 18 Oct 2023 18:44:40 GMT

←Older revision		Revision as of 18:44, 18 October 2023
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	<StructureSection load='5lsc' size='340' side='right'caption='[[5lsc]], [[Resolution\|resolution]] 1.50Å' scene=''>		<StructureSection load='5lsc' size='340' side='right'caption='[[5lsc]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lsc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LSC OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5LSC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lsc]] 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=5LSC OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5LSC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=752:2-[5-[2-(1,3-BENZOTHIAZOL-2-YLAMINO)-2-OXIDANYLIDENE-ETHYL]SULFANYL-4~{H}-1,2,4-TRIAZOL-3-YL]BENZOIC+ACID'>752</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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]] 1.497Å</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=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [~~http~~://pdbe.org/5lsc PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=752:2-[5-[2-(1,3-BENZOTHIAZOL-2-YLAMINO)-2-OXIDANYLIDENE-ETHYL]SULFANYL-4~{H}-1,2,4-TRIAZOL-3-YL]BENZOIC+ACID'>752</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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'>[https://proteopedia.org/fgij/fg.htm?mol=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [https://pdbe.org/5lsc PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [https://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/B8QIQ9_PSEAI B8QIQ9_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: ~~Christopeit, T~~]]	+	[[Category: Pseudomonas aeruginosa]]
-	[[Category: ~~Leiros, H K.S~~]]	+	[[Category: Christopeit T]]
-	[[Category: ~~Yang, K W~~]]	+	[[Category: Leiros H-KS]]
-	[[Category: Yang~~, S~~ K]]	+	[[Category: Yang K-W]]
-	~~[[Category: Antibiotic resistance]]~~	+	[[Category: Yang S-K]]
-	~~[[Category: Carbapenemase]]~~	+
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Verona integron~~-~~encoded metallo-beta-lactamase 2~~]]	+
-	[[Category: ~~Vim~~-2]]	+

OCA at 10:48, 12 August 2020

OCA — Wed, 12 Aug 2020 10:48:37 GMT

←Older revision		Revision as of 10:48, 12 August 2020
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	==The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor==		==The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor==
-	<StructureSection load='5lsc' size='340' side='right' caption='[[5lsc]], [[Resolution\|resolution]] 1.50Å' scene=''>	+	<StructureSection load='5lsc' size='340' side='right'caption='[[5lsc]], [[Resolution\|resolution]] 1.50Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5lsc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LSC OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5LSC FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5lsc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LSC OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5LSC FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=752:2-[5-[2-(1,3-BENZOTHIAZOL-2-YLAMINO)-2-OXIDANYLIDENE-ETHYL]SULFANYL-4~{H}-1,2,4-TRIAZOL-3-YL]BENZOIC+ACID'>752</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=752:2-[5-[2-(1,3-BENZOTHIAZOL-2-YLAMINO)-2-OXIDANYLIDENE-ETHYL]SULFANYL-4~{H}-1,2,4-TRIAZOL-3-YL]BENZOIC+ACID'>752</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [http://pdbe.org/5lsc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [http://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc ProSAT]</span></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=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [http://pdbe.org/5lsc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [http://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Christopeit, T]]		[[Category: Christopeit, T]]
	[[Category: Leiros, H K.S]]		[[Category: Leiros, H K.S]]

OCA at 03:59, 30 August 2017

OCA — Wed, 30 Aug 2017 03:59:28 GMT

←Older revision		Revision as of 03:59, 30 August 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=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [http://pdbe.org/5lsc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [http://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc 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=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [http://pdbe.org/5lsc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [http://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The increasing number of pathogens expressing metallo-beta-lactamases (MBLs), and in this way achieving resistance to beta-lactam antibiotics, is a significant threat to global public health. A promising strategy to treat such resistant pathogens is the co-administration of MBL inhibitors together with beta-lactam antibiotics. However, an MBL inhibitor suitable for clinical use has not yet been identified. Verona integron-encoded metallo-beta-lactamase 2 (VIM-2) is a widespread MBL with a broad substrate spectrum and hence is an interesting drug target for the treatment of beta-lactam-resistant infections. In this study, three triazolylthioacetamides were tested as inhibitors of VIM-2. One of the tested compounds showed clear inhibition of VIM-2, with an IC50 of 20 microM. The crystal structure of the inhibitor in complex with VIM-2 was obtained by DMSO-free co-crystallization and was solved at a resolution of 1.50 A. To our knowledge, this is the first structure of a triazolylthioacetamide inhibitor in complex with an MBL. Analysis of the structure shows that the inhibitor binds to the two zinc ions in the active site of VIM-2 and revealed detailed information on the interactions involved. Furthermore, the crystal structure showed that binding of the inhibitor induced a conformational change of the conserved residue Trp87.
		+
		+	The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor.,Christopeit T, Yang KW, Yang SK, Leiros HK Acta Crystallogr F Struct Biol Commun. 2016 Nov 1;72(Pt 11):813-819. Epub 2016, Oct 24. PMID:27834790<ref>PMID:27834790</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5lsc" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 19:57, 9 December 2016

OCA — Fri, 09 Dec 2016 19:57:04 GMT

←Older revision		Revision as of 19:57, 9 December 2016
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-	'''Unreleased structure'''

-	~~The entry 5lsc is ON HOLD until Paper Publication~~	+	==The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor==
-		+	<StructureSection load='5lsc' size='340' side='right' caption='[[5lsc]], [[Resolution\|resolution]] 1.50Å' scene=''>
-	~~Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5lsc]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5LSC OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5LSC FirstGlance]. <br>
-	~~Description:~~ The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=752:2-[5-[2-(1,3-BENZOTHIAZOL-2-YLAMINO)-2-OXIDANYLIDENE-ETHYL]SULFANYL-4~{H}-1,2,4-TRIAZOL-3-YL]BENZOIC+ACID'>752</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</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=5lsc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5lsc OCA], [http://pdbe.org/5lsc PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5lsc RCSB], [http://www.ebi.ac.uk/pdbsum/5lsc PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5lsc ProSAT]</span></td></tr>
-	[[~~Category~~: ~~Leiros, H~~.-K.S]]	+	</table>
-	[[~~Category~~: ~~Yang~~, S.-K]]	+	__TOC__
-	[~~[Category~~: ~~Yang~~, K.-W]]	+	</StructureSection>
	[[Category: Christopeit, T]]		[[Category: Christopeit, T]]
		+	[[Category: Leiros, H K.S]]
		+	[[Category: Yang, K W]]
		+	[[Category: Yang, S K]]
		+	[[Category: Antibiotic resistance]]
		+	[[Category: Carbapenemase]]
		+	[[Category: Hydrolase]]
		+	[[Category: Verona integron-encoded metallo-beta-lactamase 2]]
		+	[[Category: Vim-2]]

OCA at 19:09, 5 October 2016

OCA — Wed, 05 Oct 2016 19:09:53 GMT

←Older revision		Revision as of 19:09, 5 October 2016
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5lsc is ON HOLD	+	The entry 5lsc is ON HOLD until Paper Publication

	Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S.		Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S.

OCA at 13:37, 14 September 2016

OCA — Wed, 14 Sep 2016 13:37:33 GMT

←Older revision		Revision as of 13:37, 14 September 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5lsc is ON HOLD ~~until sometime in the future~~	+	The entry 5lsc is ON HOLD

	Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S.		Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S.

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

OCA — Fri, 09 Sep 2016 15:16:12 GMT

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

←Older revision

Revision as of 15:16, 9 September 2016

OCA: New page: '''Unreleased structure''' The entry 5lsc is ON HOLD until sometime in the future Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S. Description: The structure of the ...

OCA — Fri, 09 Sep 2016 15:16:10 GMT

New page: '''Unreleased structure''' The entry 5lsc is ON HOLD until sometime in the future Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S. Description: The structure of the ...

New page

'''Unreleased structure'''

The entry 5lsc is ON HOLD until sometime in the future

Authors: Christopeit, T., Yang, K.-W., Yang, S.-K., Leiros, H.-K.S.

Description: The structure of the metallo-beta-lactamase VIM-2 in complex with a triazolylthioacetamide inhibitor
[[Category: Unreleased Structures]]
[[Category: Leiros, H.-K.S]]
[[Category: Yang, S.-K]]
[[Category: Yang, K.-W]]
[[Category: Christopeit, T]]