4oon - Revision history

OCA at 03:23, 21 November 2024

2024-11-21T03:23:18Z

← Older revision		Revision as of 03:23, 21 November 2024
Line 10:		Line 10:
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).		[https://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Multidrug-resistant Gram-negative pathogens are an emerging threat to human health, and addressing this challenge will require development of new antibacterial agents. This can be achieved through an improved molecular understanding of drug-target interactions combined with enhanced delivery of these agents to the site of action. Herein we describe the first application of siderophore receptor-mediated drug uptake of lactivicin analogues as a strategy that enables the development of novel antibacterial agents against clinically relevant Gram-negative bacteria. We report the first crystal structures of several sideromimic conjugated compounds bound to penicillin binding proteins PBP3 and PBP1a from Pseudomonas aeruginosa and characterize the reactivity of lactivicin and beta-lactam core structures. Results from drug sensitivity studies with beta-lactamase enzymes are presented, as well as a structure-based hypothesis to reduce susceptibility to this enzyme class. Finally, mechanistic studies demonstrating that sideromimic modification alters the drug uptake process are discussed.

			Siderophore Receptor-Mediated Uptake of Lactivicin Analogues in Gram-Negative Bacteria.,Starr J, Brown MF, Aschenbrenner L, Caspers N, Che Y, Gerstenberger BS, Huband M, Knafels JD, Lemmon MM, Li C, McCurdy SP, McElroy E, Rauckhorst MR, Tomaras AP, Young JA, Zaniewski RP, Shanmugasundaram V, Han S J Med Chem. 2014 Apr 21. PMID:24694215<ref>PMID:24694215</ref>

			From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>
			<div class="pdbe-citations 4oon" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
	*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]		*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]
			== References ==
			<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 12:14, 6 March 2024

2024-03-06T12:14:44Z

← Older revision		Revision as of 12:14, 6 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4OON FirstGlance]. <br>		<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4OON FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</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]] 3.2Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [https://pdbe.org/4oon PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [https://www.ebi.ac.uk/pdbsum/4oon PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon 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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [https://pdbe.org/4oon PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [https://www.ebi.ac.uk/pdbsum/4oon PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[https://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).		[https://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).
	~~<div style="background-color:#fffaf0;">~~
	~~== Publication Abstract from PubMed ==~~
	Multidrug-resistant Gram-negative pathogens are an emerging threat to human health, and addressing this challenge will require development of new antibacterial agents. This can be achieved through an improved molecular understanding of drug-target interactions combined with enhanced delivery of these agents to the site of action. Herein we describe the first application of siderophore receptor-mediated drug uptake of lactivicin analogues as a strategy that enables the development of novel antibacterial agents against clinically relevant Gram-negative bacteria. We report the first crystal structures of several sideromimic conjugated compounds bound to penicillin binding proteins PBP3 and PBP1a from Pseudomonas aeruginosa and characterize the reactivity of lactivicin and beta-lactam core structures. Results from drug sensitivity studies with beta-lactamase enzymes are presented, as well as a structure-based hypothesis to reduce susceptibility to this enzyme class. Finally, mechanistic studies demonstrating that sideromimic modification alters the drug uptake process are discussed.

	Siderophore Receptor-Mediated Uptake of Lactivicin Analogues in Gram-Negative Bacteria.,Starr J, Brown MF, Aschenbrenner L, Caspers N, Che Y, Gerstenberger BS, Huband M, Knafels JD, Lemmon MM, Li C, McCurdy SP, McElroy E, Rauckhorst MR, Tomaras AP, Young JA, Zaniewski RP, Shanmugasundaram V, Han S J Med Chem. 2014 Apr 21. PMID:24694215<ref>PMID:24694215</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 4oon" style="background-color:#fffaf0;"></div>~~

	==See Also==		==See Also==
	*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]		*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]
	~~== References ==~~
	~~<references/>~~
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 07:36, 25 January 2023

2023-01-25T07:36:21Z

← Older revision		Revision as of 07:36, 25 January 2023
Line 3:		Line 3:
	<StructureSection load='4oon' size='340' side='right'caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>		<StructureSection load='4oon' size='340' side='right'caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Pseae Pseae~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4OON FirstGlance]. <br>		<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Pseudomonas_aeruginosa_PAO1 Pseudomonas aeruginosa PAO1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4OON FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene>~~</td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene></td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [https://pdbe.org/4oon PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [https://www.ebi.ac.uk/pdbsum/4oon PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon ProSAT]</span></td></tr>
	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mrcA, ponA, PA5045 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])~~</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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [~~http~~://pdbe.org/4oon PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4oon PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
	[~~[http~~://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE]] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).		[https://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 20:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 4oon" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 4oon" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[Penicillin-binding protein 3D structures\|Penicillin-binding protein 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 25:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: ~~Pseae~~]]		[[Category: Pseudomonas aeruginosa PAO1]]
	[[Category: Caspers, N]]		[[Category: Caspers N]]
	[[Category: Han, S]]		[[Category: Han S]]
	[[Category: Knafels~~, J D]]~~		[[Category: Knafels JD]]
	~~[[Category: Pbp1a]]~~
	~~[[Category: Transferase-transferase inhibitor complex~~]]

OCA at 08:11, 17 April 2019

2019-04-17T08:11:16Z

← Older revision		Revision as of 08:11, 17 April 2019
Line 1:		Line 1:

	==Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)==		==Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)==
	<StructureSection load='4oon' size='340' side='right' caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>		<StructureSection load='4oon' size='340' side='right'caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OON FirstGlance]. <br>		<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Pseae Pseae]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OON FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>
			<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">mrcA, ponA, PA5045 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=208964 PSEAE])</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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://pdbe.org/4oon PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon 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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://pdbe.org/4oon PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon ProSAT]</span></td></tr>
	</table>		</table>
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
			[[Category: Large Structures]]
			[[Category: Pseae]]
	[[Category: Caspers, N]]		[[Category: Caspers, N]]
	[[Category: Han, S]]		[[Category: Han, S]]

OCA at 16:39, 4 August 2016

2016-08-04T16:39:23Z

← Older revision		Revision as of 16:39, 4 August 2016
Line 1:		Line 1:

	==Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)==		==Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)==
	<StructureSection load='4oon' size='340' side='right' caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>		<StructureSection load='4oon' size='340' side='right' caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon 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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://pdbe.org/4oon PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4oon ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 4oon" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 11:03, 25 December 2014

2014-12-25T11:03:50Z

← Older revision		Revision as of 11:03, 25 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OON FirstGlance]. <br>		<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OON FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>
	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon 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=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon PDBsum]</span></td></tr>
	<table>		</table>
			== Function ==
			[[http://www.uniprot.org/uniprot/PBPA_PSEAE PBPA_PSEAE]] Cell wall formation. Synthesis of cross-linked peptidoglycan from the lipid intermediates. The enzyme has a penicillin-insensitive transglycosylase N-terminal domain (formation of linear glycan strands) and a penicillin-sensitive transpeptidase C-terminal domain (cross-linking of the peptide subunits) (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 13:		Line 15:
	Siderophore Receptor-Mediated Uptake of Lactivicin Analogues in Gram-Negative Bacteria.,Starr J, Brown MF, Aschenbrenner L, Caspers N, Che Y, Gerstenberger BS, Huband M, Knafels JD, Lemmon MM, Li C, McCurdy SP, McElroy E, Rauckhorst MR, Tomaras AP, Young JA, Zaniewski RP, Shanmugasundaram V, Han S J Med Chem. 2014 Apr 21. PMID:24694215<ref>PMID:24694215</ref>		Siderophore Receptor-Mediated Uptake of Lactivicin Analogues in Gram-Negative Bacteria.,Starr J, Brown MF, Aschenbrenner L, Caspers N, Che Y, Gerstenberger BS, Huband M, Knafels JD, Lemmon MM, Li C, McCurdy SP, McElroy E, Rauckhorst MR, Tomaras AP, Young JA, Zaniewski RP, Shanmugasundaram V, Han S J Med Chem. 2014 Apr 21. PMID:24694215<ref>PMID:24694215</ref>

	From ~~MEDLINEÂ®~~/~~PubMedÂ®~~, 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>
	== References ==		== References ==
Line 19:		Line 21:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Caspers, N.]]		[[Category: Caspers, N]]
	[[Category: Han, S.]]		[[Category: Han, S]]
	[[Category: Knafels, J D.]]		[[Category: Knafels, J D]]
	[[Category: Pbp1a]]		[[Category: Pbp1a]]
	[[Category: Transferase-transferase inhibitor complex]]		[[Category: Transferase-transferase inhibitor complex]]

OCA at 06:52, 21 May 2014

2014-05-21T06:52:42Z

← Older revision		Revision as of 06:52, 21 May 2014
Line 2:		Line 2:
	<StructureSection load='4oon' size='340' side='right' caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>		<StructureSection load='4oon' size='340' side='right' caption='[[4oon]], [[Resolution\|resolution]] 3.20Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. <br>		<table><tr><td colspan='2'>[[4oon]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4OON OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4OON FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene><br>		</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=2U4:(4Z,8S,11E,14S)-5-(2-AMINO-1,3-THIAZOL-4-YL)-14-(5,6-DIHYDROXY-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-8-FORMYL-2-METHYL-6-OXO-3,10-DIOXA-4,7,11-TRIAZATETRADECA-4,11-DIENE-2,12,14-TRICARBOXYLIC+ACID'>2U4</scene><br>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>		<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[4ool\|4ool]], [[4oom\|4oom]]</td></tr>
	<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon PDBsum]</span></td></tr>		<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4oon FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4oon OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4oon RCSB], [http://www.ebi.ac.uk/pdbsum/4oon PDBsum]</span></td></tr>
	<table>		<table>

OCA at 08:15, 7 May 2014

2014-05-07T08:15:22Z

@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+==Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)==
-The entry 4oon is ON HOLD
+Siderophore Receptor-Mediated Uptake of Lactivicin Analogues in Gram-Negative Bacteria.,Starr J, Brown MF, Aschenbrenner L, Caspers N, Che Y, Gerstenberger BS, Huband M, Knafels JD, Lemmon MM, Li C, McCurdy SP, McElroy E, Rauckhorst MR, Tomaras AP, Young JA, Zaniewski RP, Shanmugasundaram V, Han S J Med Chem. 2014 Apr 21. PMID:24694215<ref>PMID:24694215</ref>
-Authors: Han, S., Caspers, N., Knafels, J.D.
+From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description:
+== References ==

OCA: Protected "4oon" [edit=sysop:move=sysop]

2014-02-13T04:51:55Z

Protected "4oon" [edit=sysop:move=sysop]

← Older revision	Revision as of 04:51, 13 February 2014
(No difference)

OCA: New page: '''Unreleased structure''' The entry 4oon is ON HOLD Authors: Han, S., Caspers, N., Knafels, J.D. Description:

2014-02-13T04:51:54Z

New page: '''Unreleased structure''' The entry 4oon is ON HOLD Authors: Han, S., Caspers, N., Knafels, J.D. Description:

New page

'''Unreleased structure'''

The entry 4oon is ON HOLD

Authors: Han, S., Caspers, N., Knafels, J.D.

Description: