3sgt - Revision history

OCA at 12:56, 14 March 2024

OCA — Thu, 14 Mar 2024 12:56:19 GMT

←Older revision		Revision as of 12:56, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3sgt' size='340' side='right'caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='3sgt' size='340' side='right'caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Escherichia_coli_o6~~ Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SGT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_O6 Escherichia coli O6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SGT FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat" id="~~ligandDat~~">~~<scene name='pdbligand=P09:2~~-{[~~4-(3,4-DIMETHYLPHENOXY)PHENYL~~]~~CARBAMOYL}BENZOIC+ACID'>P09</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]] 1.85Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>uppS, c0211 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id~~=217992 Escherichia coli O6])</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>
-	~~<tr id='activity'><td class~~="~~sblockLbl~~"><~~b>Activity:</b></td><td class~~=~~"sblockDat"><span class~~=~~'plainlinks'>[https~~:~~//en.wikipedia.org/wiki/Ditrans,polycis~~-~~undecaprenyl~~-~~diphosphate_synthase_~~(~~(2E~~,~~6E)~~-~~farnesyl-_diphosphate_specific) Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl- diphosphate specific~~)]~~, with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31]~~ </~~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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [https://pdbe.org/3sgt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [https://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt 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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [https://pdbe.org/3sgt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [https://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6]] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]	+	[https://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	With the rise in resistance to antibiotics such as methicillin, there is a need for new drugs. We report here the discovery and X-ray crystallographic structures of 10 chemically diverse compounds (benzoic, diketo, and phosphonic acids, as well as a bisamidine and a bisamine) that inhibit bacterial undecaprenyl diphosphate synthase, an essential enzyme involved in cell wall biosynthesis. The inhibitors bind to one or more of the four undecaprenyl diphosphate synthase inhibitor binding sites identified previously, with the most active leads binding to site 4, outside the catalytic center. The most potent leads are active against Staphylococcus aureus [minimal inhibitory concentration (MIC)(90) approximately 0.25 microg/mL], and one potently synergizes with methicillin (fractional inhibitory concentration index = 0.25) and is protective in a mouse infection model. These results provide numerous leads for antibacterial development and open up the possibility of restoring sensitivity to drugs such as methicillin, using combination therapies.	+
-		+
-	Antibacterial drug leads targeting isoprenoid biosynthesis.,Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, Nizet V, McCammon JA, Oldfield E Proc Natl Acad Sci U S A. 2013 Jan 2;110(1):123-8. doi: 10.1073/pnas.1219899110. , Epub 2012 Dec 17. PMID:23248302<ref>PMID:23248302</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3sgt" style="background-color:#fffaf0;"></div>~~	+

	==See Also==		==See Also==
-	*[[Undecaprenyl pyrophosphate synthase\|Undecaprenyl pyrophosphate synthase]]	+	*[[Undecaprenyl pyrophosphate synthase 3D structures\|Undecaprenyl pyrophosphate synthase 3D structures]]
-	~~== References ==~~	+
-	~~<references/>~~	+
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Escherichia coli o6]]	+	[[Category: Escherichia coli O6]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Cao, R]]	+	[[Category: Cao R]]
-	[[Category: Liu, Y L]]	+	[[Category: Liu Y-L]]
-	[[Category: Oldfield, E]]	+	[[Category: Oldfield E]]
-	~~[[Category: Alpha/beta]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 07:55, 29 June 2022

OCA — Wed, 29 Jun 2022 07:55:34 GMT

←Older revision		Revision as of 07:55, 29 June 2022
Line 1:		Line 1:

	==Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299==		==Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299==
-	<StructureSection load='3sgt' size='340' side='right' caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>	+	<StructureSection load='3sgt' size='340' side='right'caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Escherichia_coli_o6 Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3SGT FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Escherichia_coli_o6 Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3SGT FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">uppS, c0211 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=217992 Escherichia coli O6])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">uppS, c0211 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=217992 Escherichia coli O6])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/Ditrans,polycis-undecaprenyl-diphosphate_synthase_((2E,6E)-farnesyl-_diphosphate_specific) Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl- diphosphate specific)], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/Ditrans,polycis-undecaprenyl-diphosphate_synthase_((2E,6E)-farnesyl-_diphosphate_specific) Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl- diphosphate specific)], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31] </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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [~~http~~://pdbe.org/3sgt PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt 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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [https://pdbe.org/3sgt PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [https://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6]] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]	+	[[https://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6]] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 28:
	</StructureSection>		</StructureSection>
	[[Category: Escherichia coli o6]]		[[Category: Escherichia coli o6]]
		+	[[Category: Large Structures]]
	[[Category: Cao, R]]		[[Category: Cao, R]]
	[[Category: Liu, Y L]]		[[Category: Liu, Y L]]

OCA at 11:29, 10 December 2016

OCA — Sat, 10 Dec 2016 11:29:41 GMT

←Older revision		Revision as of 11:29, 10 December 2016
Line 1:		Line 1:
		+
	==Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299==		==Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299==
	<StructureSection load='3sgt' size='340' side='right' caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>		<StructureSection load='3sgt' size='340' side='right' caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">uppS, c0211 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=217992 Escherichia coli O6])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">uppS, c0211 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=217992 Escherichia coli O6])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Di-~~trans~~,~~poly~~-~~cis~~-~~decaprenylcistransferase Di~~-~~trans~~,~~poly~~-~~cis~~-~~decaprenylcistransferase~~], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Ditrans,polycis-undecaprenyl-diphosphate_synthase_((2E,6E)-farnesyl-_diphosphate_specific) Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl- diphosphate specific)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31] </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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [http://www.ebi.ac.uk/pdbsum/3sgt PDBsum]</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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [http://pdbe.org/3sgt PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [http://www.ebi.ac.uk/pdbsum/3sgt PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3sgt ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/UPPS_ECOL6 UPPS_ECOL6]] Catalyzes the sequential condensation of isopentenyl diphosphate (IPP) with (2E,6E)-farnesyl diphosphate (E,E-FPP) to yield (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-undecaprenyl diphosphate (di-trans,octa-cis-UPP). UPP is the precursor of glycosyl carrier lipid in the biosynthesis of bacterial cell wall polysaccharide components such as peptidoglycan and lipopolysaccharide.[HAMAP-Rule:MF_01139]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 16:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3sgt" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 23:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: Di-trans,poly-cis-decaprenylcistransferase]]
	[[Category: Escherichia coli o6]]		[[Category: Escherichia coli o6]]
	[[Category: Cao, R]]		[[Category: Cao, R]]

OCA at 11:21, 9 December 2014

OCA — Tue, 09 Dec 2014 11:21:05 GMT

←Older revision		Revision as of 11:21, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3sgt.~~png~~\|~~left~~\|~~200px~~]]	+	==Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299==
		+	<StructureSection load='3sgt' size='340' side='right' caption='[[3sgt]], [[Resolution\|resolution]] 1.85Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3sgt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_o6 Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3SGT FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=P09:2-{[4-(3,4-DIMETHYLPHENOXY)PHENYL]CARBAMOYL}BENZOIC+ACID'>P09</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">uppS, c0211 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=217992 Escherichia coli O6])</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Di-trans,poly-cis-decaprenylcistransferase Di-trans,poly-cis-decaprenylcistransferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.5.1.31 2.5.1.31] </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=3sgt FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3sgt OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3sgt RCSB], [http://www.ebi.ac.uk/pdbsum/3sgt PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	With the rise in resistance to antibiotics such as methicillin, there is a need for new drugs. We report here the discovery and X-ray crystallographic structures of 10 chemically diverse compounds (benzoic, diketo, and phosphonic acids, as well as a bisamidine and a bisamine) that inhibit bacterial undecaprenyl diphosphate synthase, an essential enzyme involved in cell wall biosynthesis. The inhibitors bind to one or more of the four undecaprenyl diphosphate synthase inhibitor binding sites identified previously, with the most active leads binding to site 4, outside the catalytic center. The most potent leads are active against Staphylococcus aureus [minimal inhibitory concentration (MIC)(90) approximately 0.25 microg/mL], and one potently synergizes with methicillin (fractional inhibitory concentration index = 0.25) and is protective in a mouse infection model. These results provide numerous leads for antibacterial development and open up the possibility of restoring sensitivity to drugs such as methicillin, using combination therapies.

-	~~{{STRUCTURE_3sgt\| PDB=3sgt \| SCENE= }}~~	+	Antibacterial drug leads targeting isoprenoid biosynthesis.,Zhu W, Zhang Y, Sinko W, Hensler ME, Olson J, Molohon KJ, Lindert S, Cao R, Li K, Wang K, Wang Y, Liu YL, Sankovsky A, de Oliveira CA, Mitchell DA, Nizet V, McCammon JA, Oldfield E Proc Natl Acad Sci U S A. 2013 Jan 2;110(1):123-8. doi: 10.1073/pnas.1219899110. , Epub 2012 Dec 17. PMID:23248302<ref>PMID:23248302</ref>

-	~~===Crystal Structure~~ of E. ~~coli undecaprenyl pyrophosphate synthase in complex with BPH-1299===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>

-	~~{{ABSTRACT_PUBMED_23248302}}~~	+	==See Also==
-		+	*[[Undecaprenyl pyrophosphate synthase\|Undecaprenyl pyrophosphate synthase]]
-	==~~About this Structure~~==	+	== References ==
-	[[~~3sgt~~]] ~~is a 2 chain structure with sequence from [http:~~//~~en.wikipedia.org/wiki/Escherichia_coli_o6 Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA].~~	+	<references/>
		+	__TOC__
		+	</StructureSection>
	[[Category: Di-trans,poly-cis-decaprenylcistransferase]]		[[Category: Di-trans,poly-cis-decaprenylcistransferase]]
	[[Category: Escherichia coli o6]]		[[Category: Escherichia coli o6]]
-	[[Category: Cao, R.]]	+	[[Category: Cao, R]]
-	[[Category: Liu, Y L.]]	+	[[Category: Liu, Y L]]
-	[[Category: Oldfield, E.]]	+	[[Category: Oldfield, E]]
	[[Category: Alpha/beta]]		[[Category: Alpha/beta]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 08:15, 9 January 2013

OCA — Wed, 09 Jan 2013 08:15:08 GMT

←Older revision		Revision as of 08:15, 9 January 2013
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-	[[Image:3sgt.~~jpg~~\|left\|200px]]	+	[[Image:3sgt.png\|left\|200px]]

	{{STRUCTURE_3sgt\| PDB=3sgt \| SCENE= }}		{{STRUCTURE_3sgt\| PDB=3sgt \| SCENE= }}
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	===Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299===		===Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299===

		+	{{ABSTRACT_PUBMED_23248302}}

	==About this Structure==		==About this Structure==

OCA at 11:31, 19 December 2012

OCA — Wed, 19 Dec 2012 11:31:53 GMT

←Older revision		Revision as of 11:31, 19 December 2012
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-	~~WITHDRAWN~~: ~~The~~ PDB ~~entry~~ 3SGT ~~was withdrawn~~.	+	[[Image:3sgt.jpg\|left\|200px]]
		+
		+	{{STRUCTURE_3sgt\| PDB=3sgt \| SCENE= }}
		+
		+	===Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299===
		+
		+
		+	==About this Structure==
		+	[[3sgt]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Escherichia_coli_o6 Escherichia coli o6]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3SGT OCA].
		+	[[Category: Di-trans,poly-cis-decaprenylcistransferase]]
		+	[[Category: Escherichia coli o6]]
		+	[[Category: Cao, R.]]
		+	[[Category: Liu, Y L.]]
		+	[[Category: Oldfield, E.]]
		+	[[Category: Alpha/beta]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 07:31, 6 June 2012

OCA — Wed, 06 Jun 2012 07:31:49 GMT

←Older revision		Revision as of 07:31, 6 June 2012
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-	~~'''Unreleased structure'''~~	+	WITHDRAWN: The PDB entry 3SGT was withdrawn.
-		+
-	The entry ~~3sgt is ON HOLD until Paper Publication~~	+
-		+
-	~~Authors: Cao, R., Liu, Y.-L., Oldfield, E.~~	+
-		+
-	~~Description: Crystal Structure of E~~. ~~coli undecaprenyl pyrophosphate synthase in complex with BPH-1299~~	+

OCA at 18:25, 6 July 2011

OCA — Wed, 06 Jul 2011 18:25:48 GMT

←Older revision		Revision as of 18:25, 6 July 2011
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3sgt is ON HOLD	+	The entry 3sgt is ON HOLD until Paper Publication

	Authors: Cao, R., Liu, Y.-L., Oldfield, E.		Authors: Cao, R., Liu, Y.-L., Oldfield, E.

	Description: Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299		Description: Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299

OCA: Protected "3sgt" [edit=sysop:move=sysop]

OCA — Wed, 22 Jun 2011 16:24:13 GMT

Protected "3sgt" [edit=sysop:move=sysop]

←Older revision

Revision as of 16:24, 22 June 2011

OCA: New page: '''Unreleased structure''' The entry 3sgt is ON HOLD Authors: Cao, R., Liu, Y.-L., Oldfield, E. Description: Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex...

OCA — Wed, 22 Jun 2011 16:24:12 GMT

New page: '''Unreleased structure''' The entry 3sgt is ON HOLD Authors: Cao, R., Liu, Y.-L., Oldfield, E. Description: Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex...

New page

'''Unreleased structure'''

The entry 3sgt is ON HOLD

Authors: Cao, R., Liu, Y.-L., Oldfield, E.

Description: Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299