5hs3 - Revision history

OCA at 10:52, 16 August 2023

2023-08-16T10:52:28Z

←Older revision		Revision as of 10:52, 16 August 2023
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	<StructureSection load='5hs3' size='340' side='right'caption='[[5hs3]], [[Resolution\|resolution]] 3.10Å' scene=''>		<StructureSection load='5hs3' size='340' side='right'caption='[[5hs3]], [[Resolution\|resolution]] 3.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5hs3]] is a 6 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HS3 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5HS3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5hs3]] is a 6 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=5HS3 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5HS3 FirstGlance]. <br>
-	</td></tr><tr id='~~ligand~~'><td class="sblockLbl"><b>[[~~Ligand~~\|~~Ligands~~:]]</b></td><td class="sblockDat">~~<scene name='pdbligand=KI3:3~~-~~AMINO-2-BENZOYL-4-METHYLTHIENO~~[2,3~~-B]PYRIDIN-6-OL'>KI3</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</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]] 3.103Å</td></tr>
-	<tr id='~~gene~~'><td class="sblockLbl"><b>[[~~Gene~~\|~~Gene~~:]]</b></td><td class="sblockDat"~~>TYMS, TS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&~~id=~~9606 HUMAN])</td~~><~~/tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=KI3:3-AMINO-2-BENZOYL-4-METHYLTHIENO[2,3-B]PYRIDIN-6-OL'>KI3</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
-	~~<tr id~~='~~activity'><td class~~=~~"sblockLbl"><b>Activity~~:~~</b~~></td><~~td class~~=~~"sblockDat"><span class~~=~~'plainlinks~~'>~~[http://en.wikipedia.org/wiki/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45]~~ </~~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=5hs3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hs3 OCA], [https://pdbe.org/5hs3 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5hs3 RCSB], [https://www.ebi.ac.uk/pdbsum/5hs3 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5hs3 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=5hs3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hs3 OCA], [~~http~~://pdbe.org/5hs3 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5hs3 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5hs3 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5hs3 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN]] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>	+	[https://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	==See Also==		==See Also==
-	*[[Thymidylate synthase\|Thymidylate synthase]]	+	*[[Thymidylate synthase 3D structures\|Thymidylate synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	~~[[Category: Thymidylate synthase]]~~	+	[[Category: Almqvist H]]
-	[[Category: Almqvist, H]]	+	[[Category: Artursson P]]
-	[[Category: Artursson, P]]	+	[[Category: Axelsson H]]
-	[[Category: Axelsson, H]]	+	[[Category: Chen D]]
-	[[Category: Chen, D]]	+	[[Category: Haraldsson M]]
-	[[Category: Haraldsson, M]]	+	[[Category: Jafari R]]
-	[[Category: Jafari, R]]	+	[[Category: Larsson A]]
-	[[Category: Larsson, A]]	+	[[Category: Lundback T]]
-	[[Category: Lundback, T]]	+	[[Category: Mateus A]]
-	[[Category: Mateus, A]]	+	[[Category: Molina DM]]
-	[[Category: Molina~~, D M~~]]	+	[[Category: Nordlund P]]
-	[[Category: Nordlund, P]]	+
-	~~[[Category: Nhibitor]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex~~]]	+

OCA at 07:16, 19 February 2020

2020-02-19T07:16:18Z

←Older revision		Revision as of 07:16, 19 February 2020
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	==Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol==		==Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol==
-	<StructureSection load='5hs3' size='340' side='right' caption='[[5hs3]], [[Resolution\|resolution]] 3.10Å' scene=''>	+	<StructureSection load='5hs3' size='340' side='right'caption='[[5hs3]], [[Resolution\|resolution]] 3.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5hs3]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HS3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HS3 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5hs3]] is a 6 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HS3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HS3 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KI3:3-AMINO-2-BENZOYL-4-METHYLTHIENO[2,3-B]PYRIDIN-6-OL'>KI3</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KI3:3-AMINO-2-BENZOYL-4-METHYLTHIENO[2,3-B]PYRIDIN-6-OL'>KI3</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">TYMS, TS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45] </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=5hs3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hs3 OCA], [http://pdbe.org/5hs3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hs3 RCSB], [http://www.ebi.ac.uk/pdbsum/5hs3 PDBsum]</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=5hs3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hs3 OCA], [http://pdbe.org/5hs3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hs3 RCSB], [http://www.ebi.ac.uk/pdbsum/5hs3 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5hs3 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	</div>		</div>
	<div class="pdbe-citations 5hs3" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5hs3" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Thymidylate synthase\|Thymidylate synthase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Thymidylate synthase]]		[[Category: Thymidylate synthase]]
	[[Category: Almqvist, H]]		[[Category: Almqvist, H]]

OCA at 16:17, 10 May 2016

2016-05-10T16:17:56Z

←Older revision		Revision as of 16:17, 10 May 2016
Line 10:		Line 10:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN]] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>		[[http://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN]] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Target engagement is a critical factor for therapeutic efficacy. Assessment of compound binding to native target proteins in live cells is therefore highly desirable in all stages of drug discovery. We report here the first compound library screen based on biophysical measurements of intracellular target binding, exemplified by human thymidylate synthase (TS). The screen selected accurately for all the tested known drugs acting on TS. We also identified TS inhibitors with novel chemistry and marketed drugs that were not previously known to target TS, including the DNA methyltransferase inhibitor decitabine. By following the cellular uptake and enzymatic conversion of known drugs we correlated the appearance of active metabolites over time with intracellular target engagement. These data distinguished a much slower activation of 5-fluorouracil when compared with nucleoside-based drugs. The approach establishes efficient means to associate drug uptake and activation with target binding during drug discovery.
		+
		+	CETSA screening identifies known and novel thymidylate synthase inhibitors and slow intracellular activation of 5-fluorouracil.,Almqvist H, Axelsson H, Jafari R, Dan C, Mateus A, Haraldsson M, Larsson A, Martinez Molina D, Artursson P, Lundback T, Nordlund P Nat Commun. 2016 Mar 24;7:11040. doi: 10.1038/ncomms11040. PMID:27010513<ref>PMID:27010513</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5hs3" style="background-color:#fffaf0;"></div>
	== References ==		== References ==
	<references/>		<references/>

OCA at 18:22, 26 February 2016

2016-02-26T18:22:46Z

←Older revision		Revision as of 18:22, 26 February 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5hs3 ~~is ON HOLD~~	+	==Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol==
-		+	<StructureSection load='5hs3' size='340' side='right' caption='[[5hs3]], [[Resolution\|resolution]] 3.10Å' scene=''>
-	~~Authors~~: ~~Chen, D~~.~~, Almqvist, H~~.~~, Axelsson, H~~.~~, Jafari, R~~.~~, Mateus, A~~.~~, Haraldsson, M~~.~~, Larsson, A~~.~~, Artursson, P~~.~~, Molina, D.M., Lundback, T., Nordlund, P~~.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5hs3]] is a 6 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5HS3 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5HS3 FirstGlance]. <br>
-	~~Description~~: ~~Human thymidylate synthase complexed with dUMP and~~ 3-~~amino~~-2-~~benzoyl~~-4-~~methylthieno~~[2,3-b]~~pyridin~~-6-ol	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=KI3:3-AMINO-2-BENZOYL-4-METHYLTHIENO[2,3-B]PYRIDIN-6-OL'>KI3</scene>, <scene name='pdbligand=UMP:2-DEOXYURIDINE+5-MONOPHOSPHATE'>UMP</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/Thymidylate_synthase Thymidylate synthase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.1.1.45 2.1.1.45] </span></td></tr>
-	[[Category: ~~Molina~~, D.M]]	+	<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=5hs3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5hs3 OCA], [http://pdbe.org/5hs3 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5hs3 RCSB], [http://www.ebi.ac.uk/pdbsum/5hs3 PDBsum]</span></td></tr>
-	[[Category: ~~Nordlund~~, P]]	+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/TYSY_HUMAN TYSY_HUMAN]] Contributes to the de novo mitochondrial thymidylate biosynthesis pathway.<ref>PMID:21876188</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Thymidylate synthase]]
		+	[[Category: Almqvist, H]]
		+	[[Category: Artursson, P]]
		+	[[Category: Axelsson, H]]
		+	[[Category: Chen, D]]
		+	[[Category: Haraldsson, M]]
		+	[[Category: Jafari, R]]
	[[Category: Larsson, A]]		[[Category: Larsson, A]]
	[[Category: Lundback, T]]		[[Category: Lundback, T]]
-	[[Category: Artursson, P]]
	[[Category: Mateus, A]]		[[Category: Mateus, A]]
-	[[Category: ~~Haraldsson~~, M]]	+	[[Category: Molina, D M]]
-	[[Category: ~~Jafari~~, R]]	+	[[Category: Nordlund, P]]
-	[[Category: ~~Axelsson, H~~]]	+	[[Category: Nhibitor]]
-	[[Category: ~~Almqvist, H]]~~	+	[[Category: Transferase-transferase inhibitor complex]]
-	~~[[Category: Chen, D~~]]	+

OCA: Protected "5hs3" [edit=sysop:move=sysop]

2016-02-03T14:14:54Z

Protected "5hs3" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:14, 3 February 2016

OCA: New page: '''Unreleased structure''' The entry 5hs3 is ON HOLD Authors: Chen, D., Almqvist, H., Axelsson, H., Jafari, R., Mateus, A., Haraldsson, M., Larsson, A., Artursson, P., Molina, D.M., Lun...

2016-02-03T14:14:52Z

New page: '''Unreleased structure''' The entry 5hs3 is ON HOLD Authors: Chen, D., Almqvist, H., Axelsson, H., Jafari, R., Mateus, A., Haraldsson, M., Larsson, A., Artursson, P., Molina, D.M., Lun...

New page

'''Unreleased structure'''

The entry 5hs3 is ON HOLD

Authors: Chen, D., Almqvist, H., Axelsson, H., Jafari, R., Mateus, A., Haraldsson, M., Larsson, A., Artursson, P., Molina, D.M., Lundback, T., Nordlund, P.

Description: Human thymidylate synthase complexed with dUMP and 3-amino-2-benzoyl-4-methylthieno[2,3-b]pyridin-6-ol
[[Category: Unreleased Structures]]
[[Category: Molina, D.M]]
[[Category: Nordlund, P]]
[[Category: Larsson, A]]
[[Category: Lundback, T]]
[[Category: Artursson, P]]
[[Category: Mateus, A]]
[[Category: Haraldsson, M]]
[[Category: Jafari, R]]
[[Category: Axelsson, H]]
[[Category: Almqvist, H]]
[[Category: Chen, D]]