3u17 - Revision history

OCA at 13:45, 14 March 2024

OCA — Thu, 14 Mar 2024 13:45:30 GMT

←Older revision		Revision as of 13:45, 14 March 2024
Line 3:		Line 3:
	<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Acibc Acibc~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U17 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Acinetobacter_baumannii_ACICU Acinetobacter baumannii ACICU]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U17 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</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]] 2.1Å</td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</div></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=405416 ACIBC])~~</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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [https://pdbe.org/3u17 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [https://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [https://pdbe.org/3u17 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [https://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 ProSAT]</span></td></tr>
	</table>		</table>
-	<div style="background-color:#fffaf0;">
-	== Publication Abstract from PubMed ==
-	Siderophores are small-molecule iron chelators produced by bacteria and other microorganisms for survival under iron limiting conditions such as found in a mammalian host. Siderophore biosynthesis is essential for the virulence of many important Gram-negative pathogens including Acinetobacter baumannii, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Escherichia coli. We performed high-throughput screening against BasE, which is involved in siderophore biosynthesis in A. baumannii, and identified 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid 15. Herein we report the synthesis, biochemical, and microbiological evaluation of a systematic series of analogues of the HTS hit 15. Analogue 67 is the most potent analogue with a KD of 2 nM against BasE. Structural characterization of the inhibitors with BasE reveals that they bind in a unique orientation in the active site, occupying all three substrate binding sites, and thus can be considered as multisubstrate inhibitors. These results provide a foundation for future studies aimed at increasing both enzyme potency and antibacterial activity.
-
-	Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.,Neres J, Engelhart CA, Drake EJ, Wilson DJ, Fu P, Boshoff HI, Barry CE 3rd, Gulick AM, Aldrich CC J Med Chem. 2013 Mar 28;56(6):2385-405. doi: 10.1021/jm301709s. Epub 2013 Mar 13. PMID:23437866<ref>PMID:23437866</ref>
-
-	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	</div>
-	<div class="pdbe-citations 3u17" style="background-color:#fffaf0;"></div>
-	== References ==
-	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Acibc~~]]	+	[[Category: Acinetobacter baumannii ACICU]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Aldrich~~, C C~~]]	+	[[Category: Aldrich CC]]
-	[[Category: Drake~~, E J~~]]	+	[[Category: Drake EJ]]
-	[[Category: Gulick~~, A M~~]]	+	[[Category: Gulick AM]]
-	[[Category: Neres, J]]	+	[[Category: Neres J]]
-	~~[[Category: 3-dihydroxybenzoate:aryl carrier protein ligase]]~~	+
-	~~[[Category: Adenylating enzyme]]~~	+
-	~~[[Category: Anl superfamily]]~~	+
-	~~[[Category: Basf]]~~	+
-	~~[[Category: Ligase~~]]	+

OCA at 05:53, 13 July 2022

OCA — Wed, 13 Jul 2022 05:53:33 GMT

←Older revision		Revision as of 05:53, 13 July 2022
Line 3:		Line 3:
	<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=3U17 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3U17 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=405416 ACIBC])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=405416 ACIBC])</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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [~~http~~://pdbe.org/3u17 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [https://pdbe.org/3u17 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [https://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">

OCA at 05:40, 13 May 2020

OCA — Wed, 13 May 2020 05:40:23 GMT

←Older revision		Revision as of 05:40, 13 May 2020
Line 3:		Line 3:
	<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3U17 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3U17 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=405416 ACIBC])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=405416 ACIBC])</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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [http://pdbe.org/3u17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [http://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [http://pdbe.org/3u17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [http://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Siderophores are small-molecule iron chelators produced by bacteria and other microorganisms for survival under iron limiting conditions such as found in a mammalian host. Siderophore biosynthesis is essential for the virulence of many important Gram-negative pathogens including Acinetobacter baumannii, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Escherichia coli. We performed high-throughput screening against BasE, which is involved in siderophore biosynthesis in A. baumannii, and identified 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid 15. Herein we report the synthesis, biochemical, and microbiological evaluation of a systematic series of analogues of the HTS hit 15. Analogue 67 is the most potent analogue with a KD of 2 nM against BasE. Structural characterization of the inhibitors with BasE reveals that they bind in a unique orientation in the active site, occupying all three substrate binding sites, and thus can be considered as multisubstrate inhibitors. These results provide a foundation for future studies aimed at increasing both enzyme potency and antibacterial activity.
		+
		+	Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii.,Neres J, Engelhart CA, Drake EJ, Wilson DJ, Fu P, Boshoff HI, Barry CE 3rd, Gulick AM, Aldrich CC J Med Chem. 2013 Mar 28;56(6):2385-405. doi: 10.1021/jm301709s. Epub 2013 Mar 13. PMID:23437866<ref>PMID:23437866</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 3u17" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 11:42, 17 July 2019

OCA — Wed, 17 Jul 2019 11:42:35 GMT

←Older revision		Revision as of 11:42, 17 July 2019
Line 1:		Line 1:

	==Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid==		==Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid==
-	<StructureSection load='3u17' size='340' side='right' caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='3u17' size='340' side='right'caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U17 FirstGlance]. <br>		<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U17 FirstGlance]. <br>
Line 12:		Line 12:
	</StructureSection>		</StructureSection>
	[[Category: Acibc]]		[[Category: Acibc]]
		+	[[Category: Large Structures]]
	[[Category: Aldrich, C C]]		[[Category: Aldrich, C C]]
	[[Category: Drake, E J]]		[[Category: Drake, E J]]

OCA at 09:42, 11 August 2016

OCA — Thu, 11 Aug 2016 09:42:57 GMT

←Older revision		Revision as of 09:42, 11 August 2016
Line 1:		Line 1:
		+
	==Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid==		==Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid==
	<StructureSection load='3u17' size='340' side='right' caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='3u17' size='340' side='right' caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Acinetobacter_baumannii Acinetobacter baumannii~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U17 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acibc Acibc]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U17 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=~~470 Acinetobacter baumannii~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=405416 ACIBC])</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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [http://www.ebi.ac.uk/pdbsum/3u17 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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [http://pdbe.org/3u17 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [http://www.ebi.ac.uk/pdbsum/3u17 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3u17 ProSAT]</span></td></tr>
	</table>		</table>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Acinetobacter baumannii~~]]	+	[[Category: Acibc]]
	[[Category: Aldrich, C C]]		[[Category: Aldrich, C C]]
	[[Category: Drake, E J]]		[[Category: Drake, E J]]

OCA at 10:05, 4 January 2015

OCA — Sun, 04 Jan 2015 10:05:36 GMT

←Older revision		Revision as of 10:05, 4 January 2015
Line 1:		Line 1:
-	~~[[Image:3u17.jpg\|left\|200px]]~~	+	==Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid==
-		+	<StructureSection load='3u17' size='340' side='right' caption='[[3u17]], [[Resolution\|resolution]] 2.10Å' scene=''>
-	~~{{STRUCTURE_3u17\| PDB=3u17 \| SCENE= }}~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3U17 FirstGlance]. <br>
-	===Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid===	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=H90:6-(4-BENZOYLPHENYL)-1-(PYRIDIN-4-YLMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC+ACID'>H90</scene>, <scene name='pdbligand=MPD:(4S)-2-METHYL-2,4-PENTANEDIOL'>MPD</scene>, <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene></td></tr>
-		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3o82\|3o82]], [[3o83\|3o83]], [[3o84\|3o84]], [[3u16\|3u16]]</td></tr>
-		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ACICU_02578, basE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=470 Acinetobacter baumannii])</td></tr>
-	==~~About this Structure~~==	+	<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=3u17 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u17 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u17 RCSB], [http://www.ebi.ac.uk/pdbsum/3u17 PDBsum]</span></td></tr>
-	[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA].	+	</table>
		+	__TOC__
		+	</StructureSection>
	[[Category: Acinetobacter baumannii]]		[[Category: Acinetobacter baumannii]]
-	[[Category: Aldrich, C C.]]	+	[[Category: Aldrich, C C]]
-	[[Category: Drake, E J.]]	+	[[Category: Drake, E J]]
-	[[Category: Gulick, A M.]]	+	[[Category: Gulick, A M]]
-	[[Category: Neres, J.]]	+	[[Category: Neres, J]]
	[[Category: 3-dihydroxybenzoate:aryl carrier protein ligase]]		[[Category: 3-dihydroxybenzoate:aryl carrier protein ligase]]
	[[Category: Adenylating enzyme]]		[[Category: Adenylating enzyme]]

OCA at 06:20, 3 October 2012

OCA — Wed, 03 Oct 2012 06:20:38 GMT

←Older revision		Revision as of 06:20, 3 October 2012
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3u17.jpg\|left\|200px]]

-	~~The entry~~ 3u17 ~~is ON HOLD~~ ~~until Paper Publication~~	+	{{STRUCTURE_3u17\| PDB=3u17 \| SCENE= }}

-	~~Authors: Gulick~~, ~~A.M., Drake, E.J., Aldrich, C.C., Neres, J.~~	+	===Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid===

-	~~Description:~~ Structure ~~of BasE N-terminal domain~~ from Acinetobacter baumannii ~~bound to 6-(p~~-~~benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo~~[3,~~4-b~~]~~pyridine~~-~~4-carboxylic acid~~	+
		+	==About this Structure==
		+	[[3u17]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Acinetobacter_baumannii Acinetobacter baumannii]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U17 OCA].
		+	[[Category: Acinetobacter baumannii]]
		+	[[Category: Aldrich, C C.]]
		+	[[Category: Drake, E J.]]
		+	[[Category: Gulick, A M.]]
		+	[[Category: Neres, J.]]
		+	[[Category: 3-dihydroxybenzoate:aryl carrier protein ligase]]
		+	[[Category: Adenylating enzyme]]
		+	[[Category: Anl superfamily]]
		+	[[Category: Basf]]
		+	[[Category: Ligase]]

OCA at 07:56, 2 November 2011

OCA — Wed, 02 Nov 2011 07:56:50 GMT

←Older revision		Revision as of 07:56, 2 November 2011
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3u17 is ON HOLD	+	The entry 3u17 is ON HOLD until Paper Publication

	Authors: Gulick, A.M., Drake, E.J., Aldrich, C.C., Neres, J.		Authors: Gulick, A.M., Drake, E.J., Aldrich, C.C., Neres, J.

	Description: Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid		Description: Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

OCA: Protected "3u17" [edit=sysop:move=sysop]

OCA — Wed, 05 Oct 2011 06:16:16 GMT

Protected "3u17" [edit=sysop:move=sysop]

←Older revision

Revision as of 06:16, 5 October 2011

OCA: New page: '''Unreleased structure''' The entry 3u17 is ON HOLD Authors: Gulick, A.M., Drake, E.J., Aldrich, C.C., Neres, J. Description: Structure of BasE N-terminal domain from Acinetobacter ba...

OCA — Wed, 05 Oct 2011 06:16:15 GMT

New page: '''Unreleased structure''' The entry 3u17 is ON HOLD Authors: Gulick, A.M., Drake, E.J., Aldrich, C.C., Neres, J. Description: Structure of BasE N-terminal domain from Acinetobacter ba...

New page

'''Unreleased structure'''

The entry 3u17 is ON HOLD

Authors: Gulick, A.M., Drake, E.J., Aldrich, C.C., Neres, J.

Description: Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 6-(p-benzoyl)phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid