5znj - Revision history

OCA at 14:32, 29 November 2023

OCA — Wed, 29 Nov 2023 14:32:49 GMT

←Older revision		Revision as of 14:32, 29 November 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5znj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZNJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ZNJ FirstGlance]. <br>		<table><tr><td colspan='2'>[[5znj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZNJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ZNJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HFG:7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2-YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE'>HFG</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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]] 1.84Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HFG:7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2-YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE'>HFG</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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=5znj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5znj OCA], [https://pdbe.org/5znj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5znj RCSB], [https://www.ebi.ac.uk/pdbsum/5znj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5znj 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=5znj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5znj OCA], [https://pdbe.org/5znj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5znj RCSB], [https://www.ebi.ac.uk/pdbsum/5znj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5znj ProSAT]</span></td></tr>
	</table>		</table>

OCA at 06:52, 25 January 2023

OCA — Wed, 25 Jan 2023 06:52:14 GMT

←Older revision		Revision as of 06:52, 25 January 2023
Line 3:		Line 3:
	<StructureSection load='5znj' size='340' side='right'caption='[[5znj]], [[Resolution\|resolution]] 1.84Å' scene=''>		<StructureSection load='5znj' size='340' side='right'caption='[[5znj]], [[Resolution\|resolution]] 1.84Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5znj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZNJ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5ZNJ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5znj]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus Staphylococcus aureus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZNJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5ZNJ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HFG:7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2-YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE'>HFG</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HFG:7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2-YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE'>HFG</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Proline--tRNA_ligase Proline--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.15 6.1.1.15] </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=5znj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5znj OCA], [https://pdbe.org/5znj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5znj RCSB], [https://www.ebi.ac.uk/pdbsum/5znj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5znj 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=5znj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5znj OCA], [~~http~~://pdbe.org/5znj PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5znj RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5znj PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5znj ProSAT]</span></td></tr>	+
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Aminoacyl-tRNA synthetases (aaRSs) are promising antimicrobial targets due to their essential roles in protein translation, and expanding their inhibitory mechanisms will provide new opportunities for drug discovery. We report here that halofuginone (HF), an herb-derived medicine, moderately inhibits prolyl-tRNA synthetases (ProRSs) from various pathogenic bacteria. A cocrystal structure of Staphylococcus aureus ProRS (SaProRS) with HF and an ATP analog was determined, which guided the design of new HF analogs. Compound 3 potently inhibited SaProRS at IC(50) = 0.18 muM and K(d) = 30.3 nM and showed antibacterial activities with an MIC of 1-4 mug/mL in vitro. The bacterial drug resistance to 3 only developed at a rate similar to or slower than those of clinically used antibiotics in vitro. Our study indicates that the scaffold and ATP-aided inhibitory mechanism of HF could apply to bacterial ProRS and also provides a chemical validation for using bacterial ProRS as an antibacterial target.
		+
		+	Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.,Cheng B, Cai Z, Luo Z, Luo S, Luo Z, Cheng Y, Yu Y, Guo J, Ju Y, Gu Q, Xu J, Jiang X, Li G, Zhou H J Med Chem. 2022 Dec 8;65(23):15840-15855. doi: 10.1021/acs.jmedchem.2c01496. , Epub 2022 Nov 17. PMID:36394909<ref>PMID:36394909</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5znj" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Aminoacyl tRNA synthetase 3D structures\|Aminoacyl tRNA synthetase 3D structures]]
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Proline--tRNA ligase~~]]	+	[[Category: Staphylococcus aureus]]
-	[[Category: Cheng, B]]	+	[[Category: Cheng B]]
-	[[Category: Yu, Y]]	+	[[Category: Yu Y]]
-	[[Category: Zhou, H]]	+	[[Category: Zhou H]]
-	~~[[Category: Aminoacyl-trna synthetase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Ligase]]~~	+
-	~~[[Category: Protein biosynthesis~~]]	+

OCA at 06:02, 29 May 2019

OCA — Wed, 29 May 2019 06:02:10 GMT

←Older revision		Revision as of 06:02, 29 May 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5znj ~~is ON HOLD until Paper Publication~~	+	==Crystal structure of a bacterial ProRS with ligands==
-		+	<StructureSection load='5znj' size='340' side='right'caption='[[5znj]], [[Resolution\|resolution]] 1.84Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5znj]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5ZNJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ZNJ FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ANP:PHOSPHOAMINOPHOSPHONIC+ACID-ADENYLATE+ESTER'>ANP</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=HFG:7-BROMO-6-CHLORO-3-{3-[(2R,3S)-3-HYDROXYPIPERIDIN-2-YL]-2-OXOPROPYL}QUINAZOLIN-4(3H)-ONE'>HFG</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Proline--tRNA_ligase Proline--tRNA ligase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=6.1.1.15 6.1.1.15] </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=5znj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5znj OCA], [http://pdbe.org/5znj PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5znj RCSB], [http://www.ebi.ac.uk/pdbsum/5znj PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5znj ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Proline--tRNA ligase]]
		+	[[Category: Cheng, B]]
		+	[[Category: Yu, Y]]
		+	[[Category: Zhou, H]]
		+	[[Category: Aminoacyl-trna synthetase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Ligase]]
		+	[[Category: Protein biosynthesis]]

OCA at 06:32, 2 May 2018

OCA — Wed, 02 May 2018 06:32:19 GMT

←Older revision		Revision as of 06:32, 2 May 2018
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

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

	Authors:		Authors:

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

OCA — Wed, 18 Apr 2018 04:05:27 GMT

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

←Older revision

Revision as of 04:05, 18 April 2018

OCA: New page: '''Unreleased structure''' The entry 5znj is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 18 Apr 2018 04:05:25 GMT

New page: '''Unreleased structure''' The entry 5znj is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5znj is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]