6i30 - Revision history

OCA at 11:45, 24 January 2024

OCA — Wed, 24 Jan 2024 11:45:17 GMT

←Older revision		Revision as of 11:45, 24 January 2024
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	==Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C==		==Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C==
-	<StructureSection load='6i30' size='340' side='right' caption='[[6i30]], [[Resolution\|resolution]] 2.21Å' scene=''>	+	<StructureSection load='6i30' size='340' side='right'caption='[[6i30]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i30]] 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=6I30 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6I30 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i30]] 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=6I30 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6I30 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=C6S:(3R)~~-~~3-(CYCLOHEXYLCARBONYLAMINO)-2-OXIDANYL-3,4-DIHYDRO-1~~,2~~-BENZOXABORININE-8-CARBOXYLIC+ACID'>C6S</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]] 2.21Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>blaPDC ([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=C6S:(3R)-3-(CYCLOHEXYLCARBONYLAMINO)-2-OXIDANYL-3,4-DIHYDRO-1,2-BENZOXABORININE-8-CARBOXYLIC+ACID'>C6S</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=6i30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i30 OCA], [~~http~~://pdbe.org/6i30 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6i30 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6i30 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6i30 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=6i30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i30 OCA], [https://pdbe.org/6i30 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6i30 RCSB], [https://www.ebi.ac.uk/pdbsum/6i30 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6i30 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A2Z4BUZ1_PSEAI A0A2Z4BUZ1_PSEAI]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 17:		Line 19:
	</div>		</div>
	<div class="pdbe-citations 6i30" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6i30" 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: ~~Cahill, S T~~]]	+	[[Category: Pseudomonas aeruginosa]]
-	[[Category: ~~McDonough, M A]]~~	+	[[Category: Brem J]]
-	~~[[Category: Schofield, C~~ J]]	+	[[Category: Cahill ST]]
-	[[Category: ~~Antibiotic~~]]	+	[[Category: McDonough MA]]
-	[[Category: ~~Antimicrobial resistance~~]]	+	[[Category: Schofield CJ]]
-	[[Category: ~~Beta-lactamase]]~~	+
-	~~[[Category: Cyclic boronate]]~~	+
-	~~[[Category: Hydrolase~~]]	+

OCA at 16:00, 27 February 2019

OCA — Wed, 27 Feb 2019 16:00:44 GMT

←Older revision		Revision as of 16:00, 27 February 2019
Line 3:		Line 3:
	<StructureSection load='6i30' size='340' side='right' caption='[[6i30]], [[Resolution\|resolution]] 2.21Å' scene=''>		<StructureSection load='6i30' size='340' side='right' caption='[[6i30]], [[Resolution\|resolution]] 2.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6i30]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I30 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I30 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6i30]] 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=6I30 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I30 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C6S:(3R)-3-(CYCLOHEXYLCARBONYLAMINO)-2-OXIDANYL-3,4-DIHYDRO-1,2-BENZOXABORININE-8-CARBOXYLIC+ACID'>C6S</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C6S:(3R)-3-(CYCLOHEXYLCARBONYLAMINO)-2-OXIDANYL-3,4-DIHYDRO-1,2-BENZOXABORININE-8-CARBOXYLIC+ACID'>C6S</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">blaPDC ([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=6i30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i30 OCA], [http://pdbe.org/6i30 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i30 RCSB], [http://www.ebi.ac.uk/pdbsum/6i30 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i30 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=6i30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i30 OCA], [http://pdbe.org/6i30 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i30 RCSB], [http://www.ebi.ac.uk/pdbsum/6i30 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i30 ProSAT]</span></td></tr>
	</table>		</table>

OCA at 06:46, 21 February 2019

OCA — Thu, 21 Feb 2019 06:46:22 GMT

←Older revision		Revision as of 06:46, 21 February 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6i30 is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C==
		+	<StructureSection load='6i30' size='340' side='right' caption='[[6i30]], [[Resolution\|resolution]] 2.21Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6i30]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6I30 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6I30 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=C6S:(3R)-3-(CYCLOHEXYLCARBONYLAMINO)-2-OXIDANYL-3,4-DIHYDRO-1,2-BENZOXABORININE-8-CARBOXYLIC+ACID'>C6S</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=6i30 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6i30 OCA], [http://pdbe.org/6i30 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6i30 RCSB], [http://www.ebi.ac.uk/pdbsum/6i30 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6i30 ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	BACKGROUND: The beta-lactam antibiotics represent the most successful drug class for treatment of bacterial infections. Resistance to them, importantly via production of beta-lactamases, which collectively are able to hydrolyse all classes of beta-lactams, threatens their continued widespread use. Bicyclic boronates show potential as broad spectrum inhibitors of the mechanistically distinct serine- (SBL) and metallo- (MBL) beta-lactamase families. METHODS: Using biophysical methods, including crystallographic analysis, we have investigated the binding mode of bicyclic boronates to clinically important beta-lactamases. Induction experiments and agar-based MIC screening against MDR-Enterobacteriaceae (n=132) were used to evaluate induction properties and the in vitro efficacy of a bicyclic boronate in combination with meropenem. RESULTS: Crystallographic analysis of a bicyclic boronate in complex with AmpC from Pseudomonas aeruginosa reveals it binds to form a tetrahedral boronate species. Microbiological studies on the clinical coverage (in combination with meropenem) and induction of beta-lactamases by bicyclic boronates further support the promise of such compounds as broad spectrum beta-lactamase inhibitors. CONCLUSIONS: Together with reported studies on the structural basis of their inhibition of class A, B and D beta-lactamases, biophysical studies, including crystallographic analysis, support the proposal that bicyclic boronates mimic tetrahedral intermediates common to SBL and MBL catalysis. GENERAL SIGNIFICANCE: Bicyclic boronates are a new generation of broad spectrum inhibitors of both SBLs and MBLs.

-	~~Authors: Brem, J~~., Cahill, ~~S.T.~~, McDonough, ~~M.A.~~, Schofield, C.J.	+	Studies on the inhibition of AmpC and other beta-lactamases by cyclic boronates.,Cahill ST, Tyrrell JM, Navratilova IH, Calvopina K, Robinson SW, Lohans CT, McDonough MA, Cain R, Fishwick CWG, Avison MB, Walsh TR, Schofield CJ, Brem J Biochim Biophys Acta Gen Subj. 2019 Apr;1863(4):742-748. doi:, 10.1016/j.bbagen.2019.02.004. Epub 2019 Feb 7. PMID:30738906<ref>PMID:30738906</ref>

-	~~Description: Crystal structure~~ of the ~~AmpC from Pseudomonas aeruginosa with 1C~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	~~[[Category~~: ~~Unreleased Structures]]~~	+	</div>
		+	<div class="pdbe-citations 6i30" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Brem, J]]		[[Category: Brem, J]]
-	[[Category: Cahill, S.T]]	+	[[Category: Cahill, S T]]
-	[[Category: ~~Mcdonough~~, M.A]]	+	[[Category: McDonough, M A]]
-	[[Category: Schofield, C.J]]	+	[[Category: Schofield, C J]]
		+	[[Category: Antibiotic]]
		+	[[Category: Antimicrobial resistance]]
		+	[[Category: Beta-lactamase]]
		+	[[Category: Cyclic boronate]]
		+	[[Category: Hydrolase]]

OCA: Protected "6i30" [edit=sysop:move=sysop]

OCA — Wed, 14 Nov 2018 06:19:15 GMT

Protected "6i30" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:19, 14 November 2018

OCA: New page: '''Unreleased structure''' The entry 6i30 is ON HOLD until Paper Publication Authors: Brem, J., Cahill, S.T., McDonough, M.A., Schofield, C.J. Description: Crystal structure of the Amp...

OCA — Wed, 14 Nov 2018 06:19:14 GMT

New page: '''Unreleased structure''' The entry 6i30 is ON HOLD until Paper Publication Authors: Brem, J., Cahill, S.T., McDonough, M.A., Schofield, C.J. Description: Crystal structure of the Amp...

New page

'''Unreleased structure'''

The entry 6i30 is ON HOLD until Paper Publication

Authors: Brem, J., Cahill, S.T., McDonough, M.A., Schofield, C.J.

Description: Crystal structure of the AmpC from Pseudomonas aeruginosa with 1C
[[Category: Unreleased Structures]]
[[Category: Brem, J]]
[[Category: Cahill, S.T]]
[[Category: Mcdonough, M.A]]
[[Category: Schofield, C.J]]