8crj - Revision history

OCA at 11:11, 2 August 2023

OCA — Wed, 02 Aug 2023 11:11:08 GMT

←Older revision		Revision as of 11:11, 2 August 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8crj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Listeria_monocytogenes Listeria monocytogenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CRJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CRJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[8crj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Listeria_monocytogenes Listeria monocytogenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CRJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CRJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LAQ:5-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE'>LAQ</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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]] 2.6Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LAQ:5-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE'>LAQ</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=8crj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8crj OCA], [https://pdbe.org/8crj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8crj RCSB], [https://www.ebi.ac.uk/pdbsum/8crj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8crj 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=8crj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8crj OCA], [https://pdbe.org/8crj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8crj RCSB], [https://www.ebi.ac.uk/pdbsum/8crj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8crj ProSAT]</span></td></tr>
	</table>		</table>

OCA at 05:38, 7 June 2023

OCA — Wed, 07 Jun 2023 05:38:23 GMT

←Older revision		Revision as of 05:38, 7 June 2023
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 8crj is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes)==
		+	<StructureSection load='8crj' size='340' side='right'caption='[[8crj]], [[Resolution\|resolution]] 2.60Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8crj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Listeria_monocytogenes Listeria monocytogenes]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8CRJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8CRJ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=LAQ:5-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE'>LAQ</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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=8crj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8crj OCA], [https://pdbe.org/8crj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8crj RCSB], [https://www.ebi.ac.uk/pdbsum/8crj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8crj ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/A0A1D2IX29_LISMN A0A1D2IX29_LISMN]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The development of novel anti-infectives requires unprecedented strategies targeting pathways which are solely present in pathogens but absent in humans. Following this principle, we developed inhibitors of lipoic acid (LA) salvage, a crucial pathway for the survival of LA auxotrophic bacteria and parasites but non-essential in human cells. An LA-based probe was selectively transferred onto substrate proteins via lipoate protein ligase (LPL) in intact cells, and their binding sites were determined by mass spectrometry. Probe labeling served as a proxy of LPL activity, enabling in-situ screenings for cell-permeable LPL inhibitors. Profiling a focused compound library revealed two substrate analogs (LAMe and C3) as inhibitors, which were further validated by binding studies and co-crystallography. Importantly, LAMe exhibited low toxicity in human cells and achieved killing of Plasmodium falciparum in erythrocytes with an EC50 value of 15 microM, making it the most effective LPL inhibitor reported to date.

-	~~Authors:~~ Dienemann~~, J.-N.~~, Chen~~, S.-Y.~~, Hitzenberger, M., Sievert~~, M.L.~~, Hacker~~, S.M.~~, Prigge~~, S.T.~~, Zacharias, M., Groll, M., Sieber~~, S~~.A.	+	A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.,Dienemann JN, Chen SY, Hitzenberger M, Sievert ML, Hacker SM, Prigge ST, Zacharias M, Groll M, Sieber SA Angew Chem Int Ed Engl. 2023 May 30:e202304533. doi: 10.1002/anie.202304533. PMID:37249408<ref>PMID:37249408</ref>

-	~~Description: Crystal structure~~ of ~~LplA1 in complex with lipoyl~~-~~AMP (Listeria monocytogenes)~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
-	[[Category: ~~Zacharias, M~~]]	+	<div class="pdbe-citations 8crj" style="background-color:#fffaf0;"></div>
-	[[Category: Chen, S.-Y]]	+	== References ==
-	[[Category: Groll, M]]	+	<references/>
-	[[Category: ~~Sieber, S.A~~]]	+	__TOC__
-	[[Category: ~~Sievert,~~ M.L]]	+	</StructureSection>
-	[[Category: ~~Dienemann, J.-N~~]]	+	[[Category: Large Structures]]
-	[[Category: ~~Prigge, S.T~~]]	+	[[Category: Listeria monocytogenes]]
-	[[Category: ~~Hacker, S.M~~]]	+	[[Category: Chen S-Y]]
-	[[Category: ~~Hitzenberger,~~ M]]	+	[[Category: Dienemann J-N]]
		+	[[Category: Groll M]]
		+	[[Category: Hacker SM]]
		+	[[Category: Hitzenberger M]]
		+	[[Category: Prigge ST]]
		+	[[Category: Sieber SA]]
		+	[[Category: Sievert ML]]
		+	[[Category: Zacharias M]]

OCA: Protected "8crj" [edit=sysop:move=sysop]

OCA — Wed, 15 Mar 2023 07:38:26 GMT

Protected "8crj" [edit=sysop:move=sysop]

←Older revision

Revision as of 07:38, 15 March 2023

OCA: New page: '''Unreleased structure''' The entry 8crj is ON HOLD until Paper Publication Authors: Dienemann, J.-N., Chen, S.-Y., Hitzenberger, M., Sievert, M.L., Hacker, S.M., Prigge, S.T., Zachari...

OCA — Wed, 15 Mar 2023 07:38:24 GMT

New page: '''Unreleased structure''' The entry 8crj is ON HOLD until Paper Publication Authors: Dienemann, J.-N., Chen, S.-Y., Hitzenberger, M., Sievert, M.L., Hacker, S.M., Prigge, S.T., Zachari...

New page

'''Unreleased structure'''

The entry 8crj is ON HOLD until Paper Publication

Authors: Dienemann, J.-N., Chen, S.-Y., Hitzenberger, M., Sievert, M.L., Hacker, S.M., Prigge, S.T., Zacharias, M., Groll, M., Sieber, S.A.

Description: Crystal structure of LplA1 in complex with lipoyl-AMP (Listeria monocytogenes)
[[Category: Unreleased Structures]]
[[Category: Zacharias, M]]
[[Category: Chen, S.-Y]]
[[Category: Groll, M]]
[[Category: Sieber, S.A]]
[[Category: Sievert, M.L]]
[[Category: Dienemann, J.-N]]
[[Category: Prigge, S.T]]
[[Category: Hacker, S.M]]
[[Category: Hitzenberger, M]]