8d23 - Revision history

OCA at 17:24, 18 October 2023

2023-10-18T17:24:29Z

←Older revision		Revision as of 17:24, 18 October 2023
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	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[8d23]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8D23 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8D23 FirstGlance]. <br>		<table><tr><td colspan='2'>[[8d23]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8D23 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8D23 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PVU:1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine'>PVU</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]] 2.14Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PVU:1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine'>PVU</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=8d23 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8d23 OCA], [https://pdbe.org/8d23 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8d23 RCSB], [https://www.ebi.ac.uk/pdbsum/8d23 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8d23 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=8d23 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8d23 OCA], [https://pdbe.org/8d23 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8d23 RCSB], [https://www.ebi.ac.uk/pdbsum/8d23 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8d23 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/EIS_MYCTU EIS_MYCTU]] May participate in pathogenesis, possibly by enhancing survival of the bacteria in host macrophages during infection.<ref>PMID:10629183</ref>	+	[https://www.uniprot.org/uniprot/EIS_MYCTU EIS_MYCTU] May participate in pathogenesis, possibly by enhancing survival of the bacteria in host macrophages during infection.<ref>PMID:10629183</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 06:59, 14 September 2022

2022-09-14T06:59:08Z

←Older revision		Revision as of 06:59, 14 September 2022
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-	'''Unreleased structure'''

-	~~The entry~~ 8d23 is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529==
		+	<StructureSection load='8d23' size='340' side='right'caption='[[8d23]], [[Resolution\|resolution]] 2.14Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[8d23]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Mycobacterium_tuberculosis_H37Rv Mycobacterium tuberculosis H37Rv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=8D23 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=8D23 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PVU:1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine'>PVU</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=8d23 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=8d23 OCA], [https://pdbe.org/8d23 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=8d23 RCSB], [https://www.ebi.ac.uk/pdbsum/8d23 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=8d23 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[https://www.uniprot.org/uniprot/EIS_MYCTU EIS_MYCTU]] May participate in pathogenesis, possibly by enhancing survival of the bacteria in host macrophages during infection.<ref>PMID:10629183</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A clinically significant mechanism of tuberculosis resistance to the aminoglycoside kanamycin (KAN) is its acetylation catalyzed by upregulated Mycobacterium tuberculosis (Mtb) acetyltransferase Eis. In search for inhibitors of Eis, we discovered an inhibitor with a substituted benzyloxy-benzylamine scaffold. A structure-activity relationship study of 38 compounds in this structural family yielded highly potent (IC50 approximately 1 muM) Eis inhibitors, which did not inhibit other acetyltransferases. Crystal structures of Eis in complexes with three of the inhibitors showed that the inhibitors were bound in the aminoglycoside binding site of Eis, consistent with the competitive mode of inhibition, as established by kinetics measurements. When tested in Mtb cultures, two inhibitors (47 and 55) completely abolished resistance to KAN of the highly KAN-resistant strain Mtb mc(2) 6230 K204, likely due to Eis inhibition as a major mechanism. Thirteen of the compounds were toxic even in the absence of KAN to Mtb and other mycobacteria, but not to non-mycobacteria or to mammalian cells. This, yet unidentified mechanism of toxicity, distinct from Eis inhibition, will merit future studies along with further development of these molecules as anti-mycobacterial agents.

-	~~Authors~~:	+	Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.,Pang AH, Green KD, Chandrika NT, Garzan A, Punetha A, Holbrook SYL, Willby MJ, Posey JE, Tsodikov OV, Garneau-Tsodikova S Eur J Med Chem. 2022 Aug 18;242:114698. doi: 10.1016/j.ejmech.2022.114698. PMID:36037791<ref>PMID:36037791</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 8d23" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Mycobacterium tuberculosis H37Rv]]
		+	[[Category: Garneau-Tsodikova S]]
		+	[[Category: Pang AH]]
		+	[[Category: Punetha A]]
		+	[[Category: Tsodikov OV]]

OCA at 15:08, 6 July 2022

2022-07-06T15:08:50Z

←Older revision		Revision as of 15:08, 6 July 2022
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 8d23 is ON HOLD	+	The entry 8d23 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "8d23" [edit=sysop:move=sysop]

2022-06-08T04:33:10Z

Protected "8d23" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:33, 8 June 2022

OCA: New page: '''Unreleased structure''' The entry 8d23 is ON HOLD Authors: Description: Category: Unreleased Structures

2022-06-08T04:33:09Z

New page: '''Unreleased structure''' The entry 8d23 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 8d23 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]