7zza - Revision history

OCA at 13:35, 1 February 2024

2024-02-01T13:35:51Z

← Older revision		Revision as of 13:35, 1 February 2024
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[7zza]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Listeria_monocytogenes_EGD-e Listeria monocytogenes EGD-e]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZZA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZZA FirstGlance]. <br>		<table><tr><td colspan='2'>[[7zza]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Listeria_monocytogenes_EGD-e Listeria monocytogenes EGD-e]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZZA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZZA FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=KH9:2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic+acid'>KH9</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]] 2.05Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=KH9:2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic+acid'>KH9</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=7zza FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zza OCA], [https://pdbe.org/7zza PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zza RCSB], [https://www.ebi.ac.uk/pdbsum/7zza PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zza 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=7zza FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zza OCA], [https://pdbe.org/7zza PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zza RCSB], [https://www.ebi.ac.uk/pdbsum/7zza PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zza ProSAT]</span></td></tr>
	</table>		</table>
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	</div>		</div>
	<div class="pdbe-citations 7zza" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 7zza" style="background-color:#fffaf0;"></div>

			==See Also==
			*[[NAD kinase\|NAD kinase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 07:37, 11 January 2023

2023-01-11T07:37:11Z

← Older revision		Revision as of 07:37, 11 January 2023
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	~~'''Unreleased structure'''~~

	~~The entry~~ 7zza is ~~ON HOLD until Paper~~ Publication		==Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative==
			<StructureSection load='7zza' size='340' side='right'caption='[[7zza]], [[Resolution\|resolution]] 2.05Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[7zza]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Listeria_monocytogenes_EGD-e Listeria monocytogenes EGD-e]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=7ZZA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=7ZZA FirstGlance]. <br>
			</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CIT:CITRIC+ACID'>CIT</scene>, <scene name='pdbligand=KH9:2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(3-azanylpropylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic+acid'>KH9</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=7zza FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=7zza OCA], [https://pdbe.org/7zza PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=7zza RCSB], [https://www.ebi.ac.uk/pdbsum/7zza PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=7zza ProSAT]</span></td></tr>
			</table>
			== Function ==
			[https://www.uniprot.org/uniprot/NADK1_LISMO NADK1_LISMO] Involved in the regulation of the intracellular balance of NAD and NADP, and is a key enzyme in the biosynthesis of NADP. Catalyzes specifically the phosphorylation on 2'-hydroxyl of the adenosine moiety of NAD to yield NADP.[HAMAP-Rule:MF_00361]<ref>PMID:17686780</ref> <ref>PMID:22608967</ref>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Nicotinamide adenine dinucleotide kinases (NAD kinases) are essential and ubiquitous enzymes involved in the production of NADP(H) which is an essential cofactor in many metabolic pathways. Targeting NAD kinase (NADK), a rate limiting enzyme of NADP biosynthesis pathway, represents a new promising approach to treat bacterial infections. Previously, we have produced the first NADK inhibitor active against staphylococcal infection. From this linear di-adenosine derivative, namely NKI1, we designed macrocyclic analogues. Here, we describe the synthesis and evaluation of an original series of cyclic diadenosine derivatives as NADK inhibitors of two pathogenic bacteria, Listeria monocytogenes and Staphylococcus aureus. The nature and length of the link between the two adenosine units were examined leading to sub-micromolar inhibitors of NADK1 from L. monocytogenes, including its most potent in vitro inhibitor reported so far (with a 300-fold improvement compared to NKI1).

	~~Authors:~~ Gelin, M., Labesse, G.		Synthesis and structure-activity relationship studies of original cyclic diadenosine derivatives as nanomolar inhibitors of NAD kinase from pathogenic bacteria.,Clement DA, Gelin M, Leseigneur C, Huteau V, Mondange L, Pons JL, Dussurget O, Lionne C, Labesse G, Pochet S Eur J Med Chem. 2023 Jan 15;246:114941. doi: 10.1016/j.ejmech.2022.114941. Epub , 2022 Nov 23. PMID:36455355<ref>PMID:36455355</ref>

	~~Description: Crystal structure~~ of ~~NAD kinase 1 from Listeria monocytogenes in complex with a linear di~~-~~adenosine derivative~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	[[Category: ~~Unreleased~~ Structures]]		</div>
	[[Category: ~~Labesse, G~~]]		<div class="pdbe-citations 7zza" style="background-color:#fffaf0;"></div>
	[[Category: Gelin, M]]		== References ==
			<references/>
			__TOC__
			</StructureSection>
			[[Category: Large Structures]]
			[[Category: Listeria monocytogenes EGD-e]]
			[[Category: Gelin M]]
			[[Category: Labesse G]]

OCA at 06:18, 29 June 2022

2022-06-29T06:18:40Z

← Older revision		Revision as of 06:18, 29 June 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

	The entry 7zza is ON HOLD		The entry 7zza is ON HOLD until Paper Publication

	Authors: Gelin, M., Labesse, G.		Authors: Gelin, M., Labesse, G.

OCA: Protected "7zza" [edit=sysop:move=sysop]

2022-06-08T04:19:11Z

Protected "7zza" [edit=sysop:move=sysop]

← Older revision	Revision as of 04:19, 8 June 2022
(No difference)

OCA: New page: '''Unreleased structure''' The entry 7zza is ON HOLD Authors: Gelin, M., Labesse, G. Description: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear...

2022-06-08T04:19:10Z

New page: '''Unreleased structure''' The entry 7zza is ON HOLD Authors: Gelin, M., Labesse, G. Description: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear...

New page

'''Unreleased structure'''

The entry 7zza is ON HOLD

Authors: Gelin, M., Labesse, G.

Description: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a linear di-adenosine derivative
[[Category: Unreleased Structures]]
[[Category: Labesse, G]]
[[Category: Gelin, M]]