6vv1 - Revision history

OCA at 08:20, 11 October 2023

OCA — Wed, 11 Oct 2023 08:20:55 GMT

←Older revision		Revision as of 08:20, 11 October 2023
Line 3:		Line 3:
	<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]], [[Resolution\|resolution]] 2.45Å' scene=''>		<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6vv1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Myctu Myctu~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vv1]] 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=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=RMJ:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide'>RMJ</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]] 2.45Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">eis, Rv2416c, MTCY253.04 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=RMJ:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide'>RMJ</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=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [https://pdbe.org/6vv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 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=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [https://pdbe.org/6vv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 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 ==
Line 24:		Line 24:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Myctu~~]]	+	[[Category: Mycobacterium tuberculosis H37Rv]]
-	[[Category: Garneau-Tsodikova, S]]	+	[[Category: Garneau-Tsodikova S]]
-	[[Category: Hou, C]]	+	[[Category: Hou C]]
-	[[Category: Ngo~~, H X~~]]	+	[[Category: Ngo HX]]
-	[[Category: Punetha, A]]	+	[[Category: Punetha A]]
-	[[Category: Tsodikov~~, O V]]~~	+	[[Category: Tsodikov OV]]
-	~~[[Category: Acetyltransferase]]~~	+
-	~~[[Category: Aminoglycoside]]~~	+
-	~~[[Category: Competitive]]~~	+
-	~~[[Category: Resistance]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 15:20, 8 June 2021

OCA — Tue, 08 Jun 2021 15:20:57 GMT

←Older revision		Revision as of 15:20, 8 June 2021
Line 3:		Line 3:
	<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]], [[Resolution\|resolution]] 2.45Å' scene=''>		<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6vv1]] is a 1 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vv1]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=RMJ:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide'>RMJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=RMJ:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide'>RMJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">eis, Rv2416c, MTCY253.04 ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">eis, Rv2416c, MTCY253.04 ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>
-	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://proteopedia.org/fgij/fg.htm?mol=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [~~http~~://pdbe.org/6vv1 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 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=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [https://pdbe.org/6vv1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [https://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://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 09:00, 20 July 2020

OCA — Mon, 20 Jul 2020 09:00:30 GMT

←Older revision		Revision as of 09:00, 20 July 2020
Line 1:		Line 1:

-	==~~n/a~~==	+	==Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT384==
-	<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]]' scene=''>	+	<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]], [[Resolution\|resolution]] 2.45Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6vv1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Myctu Myctu]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>
-	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [http://pdbe.org/6vv1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [http://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 ProSAT]</span></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=PEG:DI(HYDROXYETHYL)ETHER'>PEG</scene>, <scene name='pdbligand=RMJ:2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide'>RMJ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">eis, Rv2416c, MTCY253.04 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=83332 MYCTU])</td></tr>
		+	<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [http://pdbe.org/6vv1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [http://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 ProSAT]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://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 ==
		+	The enhanced intracellular survival (Eis) protein of Mycobacterium tuberculosis (Mtb) is a versatile acetyltransferase that multiacetylates aminoglycoside antibiotics abolishing their binding to the bacterial ribosome. When overexpressed as a result of promoter mutations, Eis causes drug resistance. In an attempt to overcome the Eis-mediated kanamycin resistance of Mtb, we designed and optimized structurally unique thieno[2,3-d]pyrimidine Eis inhibitors toward effective kanamycin adjuvant combination therapy. We obtained 12 crystal structures of enzyme-inhibitor complexes, which guided our rational structure-based design of 72 thieno[2,3-d]pyrimidine analogues divided into three families. We evaluated the potency of these inhibitors in vitro as well as their ability to restore the activity of kanamycin in a resistant strain of Mtb, in which Eis was upregulated. Furthermore, we evaluated the metabolic stability of 11 compounds in vitro. This study showcases how structural information can guide Eis inhibitor design.
		+
		+	Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis from Mycobacterium tuberculosis.,Punetha A, Ngo HX, Holbrook SYL, Green KD, Willby MJ, Bonnett SA, Krieger K, Dennis EK, Posey JE, Parish T, Tsodikov OV, Garneau-Tsodikova S ACS Chem Biol. 2020 Jun 19;15(6):1581-1594. doi: 10.1021/acschembio.0c00184. Epub, 2020 May 18. PMID:32421305<ref>PMID:32421305</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 6vv1" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~N/a~~]]	+	[[Category: Myctu]]
		+	[[Category: Garneau-Tsodikova, S]]
		+	[[Category: Hou, C]]
		+	[[Category: Ngo, H X]]
		+	[[Category: Punetha, A]]
		+	[[Category: Tsodikov, O V]]
		+	[[Category: Acetyltransferase]]
		+	[[Category: Aminoglycoside]]
		+	[[Category: Competitive]]
		+	[[Category: Resistance]]
		+	[[Category: Transferase]]
		+	[[Category: Transferase-transferase inhibitor complex]]

OCA at 06:28, 3 June 2020

OCA — Wed, 03 Jun 2020 06:28:58 GMT

←Older revision		Revision as of 06:28, 3 June 2020
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6vv1 ~~is ON HOLD until Paper Publication~~	+	==n/a==
-		+	<StructureSection load='6vv1' size='340' side='right'caption='[[6vv1]]' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6VV1 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=6VV1 FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=6vv1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6vv1 OCA], [http://pdbe.org/6vv1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6vv1 RCSB], [http://www.ebi.ac.uk/pdbsum/6vv1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6vv1 ProSAT]</span></td></tr>
-	[[Category: ~~Unreleased~~ Structures]]	+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: N/a]]

OCA at 08:27, 18 March 2020

OCA — Wed, 18 Mar 2020 08:27:45 GMT

←Older revision		Revision as of 08:27, 18 March 2020
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 6vv1 is ON HOLD	+	The entry 6vv1 is ON HOLD until Paper Publication

	Authors:		Authors:

OCA: Protected "6vv1" [edit=sysop:move=sysop]

OCA — Wed, 26 Feb 2020 08:11:11 GMT

Protected "6vv1" [edit=sysop:move=sysop]

←Older revision

Revision as of 08:11, 26 February 2020

OCA: New page: '''Unreleased structure''' The entry 6vv1 is ON HOLD Authors: Description: Category: Unreleased Structures

OCA — Wed, 26 Feb 2020 08:11:10 GMT

New page: '''Unreleased structure''' The entry 6vv1 is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 6vv1 is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]