5drq - Revision history

OCA at 21:57, 28 June 2023

OCA — Wed, 28 Jun 2023 21:57:02 GMT

←Older revision		Revision as of 21:57, 28 June 2023
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	<StructureSection load='5drq' size='340' side='right'caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>		<StructureSection load='5drq' size='340' side='right'caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5drq]] 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=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5drq]] 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=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5EM:N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]-4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZAMIDE'>5EM</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>~~</td></tr>~~	+	</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models\|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution\|Resolution]] 1.63Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dro\|5dro]], [[5drp\|5drp]], [[5drr\|5drr]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5EM:N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]-4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZAMIDE'>5EM</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">lpxC, envA, PA4406 ([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'>[https://proteopedia.org/fgij/fg.htm?mol=5drq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5drq OCA], [https://pdbe.org/5drq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5drq RCSB], [https://www.ebi.ac.uk/pdbsum/5drq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5drq 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=5drq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5drq OCA], [~~http~~://pdbe.org/5drq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5drq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5drq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5drq ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/LPXC_PSEAE LPXC_PSEAE]] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.	+	[https://www.uniprot.org/uniprot/LPXC_PSEAE LPXC_PSEAE] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Pseae~~]]	+	[[Category: Pseudomonas aeruginosa PAO1]]
-	[[Category: Lee, C J]]	+	[[Category: Lee C-J]]
-	[[Category: Najeeb, J]]	+	[[Category: Najeeb J]]
-	[[Category: Zhou, P]]	+	[[Category: Zhou P]]
-	~~[[Category: Gram-negative bacteria]]~~	+
-	~~[[Category: Hydrolase-hydrolase inhibitor complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Lipid some]]~~	+
-	~~[[Category: Lpxc~~]]	+

OCA at 16:04, 11 December 2019

OCA — Wed, 11 Dec 2019 16:04:41 GMT

←Older revision		Revision as of 16:04, 11 December 2019
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	==Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex==		==Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex==
-	<StructureSection load='5drq' size='340' side='right' caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>	+	<StructureSection load='5drq' size='340' side='right'caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5drq]] 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=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>		<table><tr><td colspan='2'>[[5drq]] 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=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5drq" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5drq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[UDP-3-O-acyl-N-acetylglucosamine deacetylase\|UDP-3-O-acyl-N-acetylglucosamine deacetylase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Pseae]]		[[Category: Pseae]]
	[[Category: Lee, C J]]		[[Category: Lee, C J]]

OCA at 16:57, 15 November 2017

OCA — Wed, 15 Nov 2017 16:57:23 GMT

←Older revision		Revision as of 16:57, 15 November 2017
Line 3:		Line 3:
	<StructureSection load='5drq' size='340' side='right' caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>		<StructureSection load='5drq' size='340' side='right' caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5drq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5drq]] 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=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5EM:N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]-4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZAMIDE'>5EM</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5EM:N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]-4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZAMIDE'>5EM</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dro\|5dro]], [[5drp\|5drp]], [[5drr\|5drr]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dro\|5dro]], [[5drp\|5drp]], [[5drr\|5drr]]</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=5drq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5drq OCA], [http://pdbe.org/5drq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5drq RCSB], [http://www.ebi.ac.uk/pdbsum/5drq PDBsum]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">lpxC, envA, PA4406 ([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=5drq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5drq OCA], [http://pdbe.org/5drq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5drq RCSB], [http://www.ebi.ac.uk/pdbsum/5drq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5drq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 23:		Line 24:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Pseae]]
	[[Category: Lee, C J]]		[[Category: Lee, C J]]
	[[Category: Najeeb, J]]		[[Category: Najeeb, J]]

OCA at 03:38, 10 March 2016

OCA — Thu, 10 Mar 2016 03:38:19 GMT

←Older revision		Revision as of 03:38, 10 March 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5drq is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of the Pseudomonas aeruginosa LpxC/LPC-040 complex==
		+	<StructureSection load='5drq' size='340' side='right' caption='[[5drq]], [[Resolution\|resolution]] 1.63Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5drq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DRQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DRQ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5EM:N-[(2S)-3-AMINO-1-(HYDROXYAMINO)-3-METHYL-1-OXOBUTAN-2-YL]-4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]BENZAMIDE'>5EM</scene>, <scene name='pdbligand=NO3:NITRATE+ION'>NO3</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dro\|5dro]], [[5drp\|5drp]], [[5drr\|5drr]]</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=5drq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5drq OCA], [http://pdbe.org/5drq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5drq RCSB], [http://www.ebi.ac.uk/pdbsum/5drq PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/LPXC_PSEAE LPXC_PSEAE]] Involved in the biosynthesis of lipid A, a phosphorylated glycolipid that anchors the lipopolysaccharide to the outer membrane of the cell.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Conformational dynamics plays an important role in enzyme catalysis, allosteric regulation of protein functions and assembly of macromolecular complexes. Despite these well-established roles, such information has yet to be exploited for drug design. Here we show by nuclear magnetic resonance spectroscopy that inhibitors of LpxC-an essential enzyme of the lipid A biosynthetic pathway in Gram-negative bacteria and a validated novel antibiotic target-access alternative, minor population states in solution in addition to the ligand conformation observed in crystal structures. These conformations collectively delineate an inhibitor envelope that is invisible to crystallography, but is dynamically accessible by small molecules in solution. Drug design exploiting such a hidden inhibitor envelope has led to the development of potent antibiotics with inhibition constants in the single-digit picomolar range. The principle of the cryptic inhibitor envelope approach may be broadly applicable to other lead optimization campaigns to yield improved therapeutics.

-	~~Authors:~~ Lee, ~~C.-J.~~, Najeeb, J., ~~Zhou~~, P.	+	Drug design from the cryptic inhibitor envelope.,Lee CJ, Liang X, Wu Q, Najeeb J, Zhao J, Gopalaswamy R, Titecat M, Sebbane F, Lemaitre N, Toone EJ, Zhou P Nat Commun. 2016 Feb 25;7:10638. doi: 10.1038/ncomms10638. PMID:26912110<ref>PMID:26912110</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5drq" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Lee, C J]]
	[[Category: Najeeb, J]]		[[Category: Najeeb, J]]
-	[[Category: Lee, C.-J]]
	[[Category: Zhou, P]]		[[Category: Zhou, P]]
		+	[[Category: Gram-negative bacteria]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Lipid some]]
		+	[[Category: Lpxc]]

OCA at 12:31, 7 October 2015

OCA — Wed, 07 Oct 2015 12:31:53 GMT

←Older revision		Revision as of 12:31, 7 October 2015
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors: Lee, C.-J., Najeeb, J., Zhou, P.		Authors: Lee, C.-J., Najeeb, J., Zhou, P.

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

OCA — Wed, 30 Sep 2015 13:25:39 GMT

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

←Older revision

Revision as of 13:25, 30 September 2015

OCA: New page: '''Unreleased structure''' The entry 5drq is ON HOLD Authors: Lee, C.-J., Najeeb, J., Zhou, P. Description: Category: Unreleased Structures Category: Najeeb, J [[Category: Lee...

OCA — Wed, 30 Sep 2015 13:25:38 GMT

New page: '''Unreleased structure''' The entry 5drq is ON HOLD Authors: Lee, C.-J., Najeeb, J., Zhou, P. Description: Category: Unreleased Structures Category: Najeeb, J [[Category: Lee...

New page

'''Unreleased structure'''

The entry 5drq is ON HOLD

Authors: Lee, C.-J., Najeeb, J., Zhou, P.

Description:
[[Category: Unreleased Structures]]
[[Category: Najeeb, J]]
[[Category: Lee, C.-J]]
[[Category: Zhou, P]]