5nhy - Revision history

OCA at 12:58, 15 November 2023

2023-11-15T12:58:45Z

←Older revision		Revision as of 12:58, 15 November 2023
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	<StructureSection load='5nhy' size='340' side='right'caption='[[5nhy]], [[Resolution\|resolution]] 1.72Å' scene=''>		<StructureSection load='5nhy' size='340' side='right'caption='[[5nhy]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5nhy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NHY OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5NHY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5nhy]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NHY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5NHY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8XT:~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide'>8XT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 1.72Å</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=5nhy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nhy OCA], [~~http~~://pdbe.org/5nhy PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5nhy RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5nhy PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5nhy ProSAT]</span></td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=8XT:~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide'>8XT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=5nhy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nhy OCA], [https://pdbe.org/5nhy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5nhy RCSB], [https://www.ebi.ac.uk/pdbsum/5nhy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5nhy ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/8ODP_HUMAN 8ODP_HUMAN]] Antimutagenic. Acts as a sanitizing enzyme for oxidized nucleotide pools, thus suppressing cell dysfunction and death induced by oxidative stress. Hydrolyzes 8-oxo-dGTP, 8-oxo-dATP and 2-OH-dATP, thus preventing misincorporation of oxidized purine nucleoside triphosphates into DNA and subsequently preventing A:T to C:G and G:C to T:A transversions. Able to hydrolyze also the corresponding ribonucleotides, 2-OH-ATP, 8-oxo-GTP and 8-oxo-ATP.<ref>PMID:10373420</ref> <ref>PMID:10608900</ref> <ref>PMID:11139615</ref> <ref>PMID:12857738</ref> <ref>PMID:22556419</ref>	+	[https://www.uniprot.org/uniprot/8ODP_HUMAN 8ODP_HUMAN] Antimutagenic. Acts as a sanitizing enzyme for oxidized nucleotide pools, thus suppressing cell dysfunction and death induced by oxidative stress. Hydrolyzes 8-oxo-dGTP, 8-oxo-dATP and 2-OH-dATP, thus preventing misincorporation of oxidized purine nucleoside triphosphates into DNA and subsequently preventing A:T to C:G and G:C to T:A transversions. Able to hydrolyze also the corresponding ribonucleotides, 2-OH-ATP, 8-oxo-GTP and 8-oxo-ATP.<ref>PMID:10373420</ref> <ref>PMID:10608900</ref> <ref>PMID:11139615</ref> <ref>PMID:12857738</ref> <ref>PMID:22556419</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Andersson, M]]	+	[[Category: Andersson M]]
-	[[Category: Bader, B]]	+	[[Category: Bader B]]
-	[[Category: Bunse, S]]	+	[[Category: Bunse S]]
-	[[Category: Eheim, A]]	+	[[Category: Eheim A]]
-	[[Category: Ellermann, M]]	+	[[Category: Ellermann M]]
-	[[Category: Ericsson, U]]	+	[[Category: Ericsson U]]
-	[[Category: Forsblom, R]]	+	[[Category: Forsblom R]]
-	[[Category: Giese, A]]	+	[[Category: Giese A]]
-	[[Category: Ginman, T]]	+	[[Category: Ginman T]]
-	[[Category: Glasauer, A]]	+	[[Category: Glasauer A]]
-	[[Category: Gorjanacz, M]]	+	[[Category: Gorjanacz M]]
-	[[Category: Irlbacher, H]]	+	[[Category: Irlbacher H]]
-	[[Category: Lindstrom, J]]	+	[[Category: Lindstrom J]]
-	[[Category: Meyer, H]]	+	[[Category: Meyer H]]
-	[[Category: Neuhaus, R]]	+	[[Category: Neuhaus R]]
-	[[Category: Nowak-Reppel, K]]	+	[[Category: Nowak-Reppel K]]
-	[[Category: Quanz, M]]	+	[[Category: Quanz M]]
-	[[Category: Queisser, N]]	+	[[Category: Queisser N]]
-	[[Category: Rahm, F]]	+	[[Category: Rahm F]]
-	[[Category: Silvander, C]]	+	[[Category: Silvander C]]
-	[[Category: Tresaugues, L]]	+	[[Category: Tresaugues L]]
-	[[Category: Viklund, J]]	+	[[Category: Viklund J]]
-	[[Category: Weiske, J]]	+	[[Category: Weiske J]]
-	~~[[Category: Hydrolase]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Nucleotide hydrolase]]~~	+
-	~~[[Category: Nudix]]~~	+
-	~~[[Category: Oncology~~]]	+

OCA at 12:05, 26 August 2020

2020-08-26T12:05:28Z

←Older revision		Revision as of 12:05, 26 August 2020
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	==BAY-707 in complex with MTH1==		==BAY-707 in complex with MTH1==
-	<StructureSection load='5nhy' size='340' side='right' caption='[[5nhy]], [[Resolution\|resolution]] 1.72Å' scene=''>	+	<StructureSection load='5nhy' size='340' side='right'caption='[[5nhy]], [[Resolution\|resolution]] 1.72Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5nhy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NHY OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5NHY FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5nhy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NHY OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5NHY FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8XT:~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide'>8XT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=8XT:~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide'>8XT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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'>[http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5nhy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nhy OCA], [http://pdbe.org/5nhy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nhy RCSB], [http://www.ebi.ac.uk/pdbsum/5nhy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nhy ProSAT]</span></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=5nhy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nhy OCA], [http://pdbe.org/5nhy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nhy RCSB], [http://www.ebi.ac.uk/pdbsum/5nhy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nhy ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 18:
	</div>		</div>
	<div class="pdbe-citations 5nhy" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5nhy" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[7%2C8-dihydro-8-oxoguanine triphosphatase 3D structures\|7%2C8-dihydro-8-oxoguanine triphosphatase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Andersson, M]]		[[Category: Andersson, M]]
	[[Category: Bader, B]]		[[Category: Bader, B]]

OCA at 04:04, 30 August 2017

2017-08-30T04:04:20Z

←Older revision		Revision as of 04:04, 30 August 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5nhy is ~~ON HOLD~~ ~~until Paper~~ Publication	+	==BAY-707 in complex with MTH1==
		+	<StructureSection load='5nhy' size='340' side='right' caption='[[5nhy]], [[Resolution\|resolution]] 1.72Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5nhy]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5NHY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5NHY FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=8XT:~{N}-ethyl-4-[(3~{S})-3-methylmorpholin-4-yl]-1~{H}-pyrrolo[2,3-b]pyridine-2-carboxamide'>8XT</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5nhy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5nhy OCA], [http://pdbe.org/5nhy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5nhy RCSB], [http://www.ebi.ac.uk/pdbsum/5nhy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5nhy ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/8ODP_HUMAN 8ODP_HUMAN]] Antimutagenic. Acts as a sanitizing enzyme for oxidized nucleotide pools, thus suppressing cell dysfunction and death induced by oxidative stress. Hydrolyzes 8-oxo-dGTP, 8-oxo-dATP and 2-OH-dATP, thus preventing misincorporation of oxidized purine nucleoside triphosphates into DNA and subsequently preventing A:T to C:G and G:C to T:A transversions. Able to hydrolyze also the corresponding ribonucleotides, 2-OH-ATP, 8-oxo-GTP and 8-oxo-ATP.<ref>PMID:10373420</ref> <ref>PMID:10608900</ref> <ref>PMID:11139615</ref> <ref>PMID:12857738</ref> <ref>PMID:22556419</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	MTH1 is a hydrolase responsible for sanitization of oxidized purine nucleoside triphosphates to prevent their incorporation into replicating DNA. Early tool compounds published in the literature inhibited the enzymatic activity of MTH1 and subsequently induced cancer cell death; however recent studies have questioned the reported link between these two events. Therefore, it is important to validate MTH1 as a cancer dependency with high quality chemical probes. Here, we present BAY-707, a substrate-competitive, highly potent and selective inhibitor of MTH1, chemically distinct compared to those previously published. Despite superior cellular target engagement and pharmacokinetic properties, inhibition of MTH1 with BAY-707 resulted in a clear lack of in vitro or in vivo anticancer efficacy either in mono- or in combination therapies. Therefore, we conclude that MTH1 is dispensable for cancer cell survival.

-	~~Authors~~:	+	Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.,Ellermann M, Eheim A, Rahm F, Viklund J, Guenther J, Andersson M, Ericsson U, Forsblom R, Ginman T, Lindstrom J, Silvander C, Tresaugues L, Giese A, Bunse S, Neuhaus R, Weiske J, Quanz M, Glasauer A, Nowak-Reppel K, Bader B, Irlbacher H, Meyer H, Queisser N, Bauser M, Haegebarth A, Gorjanacz M ACS Chem Biol. 2017 Aug 18;12(8):1986-1992. doi: 10.1021/acschembio.7b00370. Epub, 2017 Jul 12. PMID:28679043<ref>PMID:28679043</ref>

-	~~Description~~:	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 5nhy" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Andersson, M]]
		+	[[Category: Bader, B]]
		+	[[Category: Bunse, S]]
		+	[[Category: Eheim, A]]
		+	[[Category: Ellermann, M]]
		+	[[Category: Ericsson, U]]
		+	[[Category: Forsblom, R]]
		+	[[Category: Giese, A]]
		+	[[Category: Ginman, T]]
		+	[[Category: Glasauer, A]]
		+	[[Category: Gorjanacz, M]]
		+	[[Category: Irlbacher, H]]
		+	[[Category: Lindstrom, J]]
		+	[[Category: Meyer, H]]
		+	[[Category: Neuhaus, R]]
		+	[[Category: Nowak-Reppel, K]]
		+	[[Category: Quanz, M]]
		+	[[Category: Queisser, N]]
		+	[[Category: Rahm, F]]
		+	[[Category: Silvander, C]]
		+	[[Category: Tresaugues, L]]
		+	[[Category: Viklund, J]]
		+	[[Category: Weiske, J]]
		+	[[Category: Hydrolase]]
		+	[[Category: Inhibitor]]
		+	[[Category: Nucleotide hydrolase]]
		+	[[Category: Nudix]]
		+	[[Category: Oncology]]

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

2017-04-05T10:09:43Z

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

←Older revision

Revision as of 10:09, 5 April 2017

OCA: New page: '''Unreleased structure''' The entry 5nhy is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

2017-04-05T10:09:42Z

New page: '''Unreleased structure''' The entry 5nhy is ON HOLD until Paper Publication Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5nhy is ON HOLD until Paper Publication

Authors:

Description:
[[Category: Unreleased Structures]]