6ojs - Revision history

OCA at 07:11, 11 October 2023

2023-10-11T07:11:46Z

←Older revision		Revision as of 07:11, 11 October 2023
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	<StructureSection load='6ojs' size='340' side='right'caption='[[6ojs]], [[Resolution\|resolution]] 3.21Å' scene=''>		<StructureSection load='6ojs' size='340' side='right'caption='[[6ojs]], [[Resolution\|resolution]] 3.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ojs]] is a 5 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Cryho Cryho~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OJS OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6OJS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ojs]] is a 5 chain structure with sequence from [https://en.wikipedia.org/wiki/Cryptosporidium_hominis Cryptosporidium hominis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OJS OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6OJS FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D96:N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic+acid'>D96</scene>, <scene name='pdbligand=MTX:METHOTREXATE'>MTX</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UFP:5-FLUORO-2-DEOXYURIDINE-5-MONOPHOSPHATE'>UFP</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]] 3.214Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHUDEA4_4460 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=237895 CRYHO])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=D96:N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic+acid'>D96</scene>, <scene name='pdbligand=MTX:METHOTREXATE'>MTX</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UFP:5-FLUORO-2-DEOXYURIDINE-5-MONOPHOSPHATE'>UFP</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=6ojs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ojs OCA], [~~http~~://pdbe.org/6ojs PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6ojs RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6ojs PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6ojs 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=6ojs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ojs OCA], [https://pdbe.org/6ojs PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6ojs RCSB], [https://www.ebi.ac.uk/pdbsum/6ojs PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6ojs ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/A0A0S4TER9_CRYHO A0A0S4TER9_CRYHO]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism.[PIRNR:PIRNR000389]	+	[https://www.uniprot.org/uniprot/A0A0S4TER9_CRYHO A0A0S4TER9_CRYHO] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism.[PIRNR:PIRNR000389]
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	</div>		</div>
	<div class="pdbe-citations 6ojs" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6ojs" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Dihydrofolate reductase 3D structures\|Dihydrofolate reductase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Cryho~~]]	+	[[Category: Cryptosporidium hominis]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Anderson~~, K S~~]]	+	[[Category: Anderson KS]]
-	[[Category: Czyzyk~~, D J~~]]	+	[[Category: Czyzyk DJ]]
-	[[Category: Jorgensen~~, W L~~]]	+	[[Category: Jorgensen WL]]
-	[[Category: Valhondo, M]]	+	[[Category: Valhondo M]]
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Transferase]]~~	+
-	~~[[Category: Transferase-transferase inhibitor complex]]~~	+
-	~~[[Category: Ts-dhfr~~]]	+

OCA at 06:40, 21 August 2019

2019-08-21T06:40:05Z

←Older revision		Revision as of 06:40, 21 August 2019
Line 3:		Line 3:
	<StructureSection load='6ojs' size='340' side='right'caption='[[6ojs]], [[Resolution\|resolution]] 3.21Å' scene=''>		<StructureSection load='6ojs' size='340' side='right'caption='[[6ojs]], [[Resolution\|resolution]] 3.21Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6ojs]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6OJS FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6ojs]] is a 5 chain structure with sequence from [http://en.wikipedia.org/wiki/Cryho Cryho]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6OJS FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D96:N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic+acid'>D96</scene>, <scene name='pdbligand=MTX:METHOTREXATE'>MTX</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UFP:5-FLUORO-2-DEOXYURIDINE-5-MONOPHOSPHATE'>UFP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D96:N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic+acid'>D96</scene>, <scene name='pdbligand=MTX:METHOTREXATE'>MTX</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UFP:5-FLUORO-2-DEOXYURIDINE-5-MONOPHOSPHATE'>UFP</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">CHUDEA4_4460 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=237895 CRYHO])</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=6ojs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ojs OCA], [http://pdbe.org/6ojs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ojs RCSB], [http://www.ebi.ac.uk/pdbsum/6ojs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ojs 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=6ojs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ojs OCA], [http://pdbe.org/6ojs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ojs RCSB], [http://www.ebi.ac.uk/pdbsum/6ojs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ojs ProSAT]</span></td></tr>
	</table>		</table>
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Cryho]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
	[[Category: Anderson, K S]]		[[Category: Anderson, K S]]

OCA at 06:09, 19 June 2019

2019-06-19T06:09:12Z

←Older revision		Revision as of 06:09, 19 June 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6ojs is ~~ON HOLD until Paper~~ Publication	+	==Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid==
		+	<StructureSection load='6ojs' size='340' side='right'caption='[[6ojs]], [[Resolution\|resolution]] 3.21Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6ojs]] is a 5 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6OJS OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6OJS FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=D96:N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic+acid'>D96</scene>, <scene name='pdbligand=MTX:METHOTREXATE'>MTX</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=UFP:5-FLUORO-2-DEOXYURIDINE-5-MONOPHOSPHATE'>UFP</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=6ojs FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6ojs OCA], [http://pdbe.org/6ojs PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6ojs RCSB], [http://www.ebi.ac.uk/pdbsum/6ojs PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6ojs ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/A0A0S4TER9_CRYHO A0A0S4TER9_CRYHO]] Bifunctional enzyme. Involved in de novo dTMP biosynthesis. Key enzyme in folate metabolism.[PIRNR:PIRNR000389]
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Thymidylate synthase (TS), found in all organisms, is an essential enzyme responsible for the de novo synthesis of deoxythymidine monophosphate. The TS active sites of the protozoal parasite Cryptosporidium hominis and human are relatively conserved. Evaluation of antifolate compound 1 and its R-enantiomer 2 against both enzymes reveals divergent inhibitor selectivity and enzyme stereospecificity. To establish how C. hominis and human TS (ChTS and hTS) selectively discriminate 1 and 2, respectively, we determined crystal structures of ChTS complexed with 2 and hTS complexed with 1 or 2. Coupled with the previously determined structure of ChTS complexed with 1, we discuss a possible mechanism for enzyme stereospecificity and inhibitor selectivity. This article is protected by copyright. All rights reserved.

-	~~Authors: Czyzyk~~, ~~D.J~~., ~~Anderson~~, ~~K.S.~~, Jorgensen, W.L.~~, Valhondo, M~~.	+	Understanding the Structural Basis of Species Selective, Stereospecific Inhibition for Cryptosporidium and Human Thymidylate Synthase.,Czyzyk DJ, Valhondo M, Jorgensen WL, Anderson KS FEBS Lett. 2019 Jun 7. doi: 10.1002/1873-3468.13474. PMID:31172516<ref>PMID:31172516</ref>

-	~~Description: Crystal structure~~ of TS-~~DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino~~-~~4-oxo-4,7-dihydro-pyrrolo~~[2,~~3-d~~]~~pyrimidine-methyl-phenyl-~~D~~-glutamic acid~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased Structures~~]]	+	</div>
		+	<div class="pdbe-citations 6ojs" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
		+	[[Category: Anderson, K S]]
		+	[[Category: Czyzyk, D J]]
		+	[[Category: Jorgensen, W L]]
	[[Category: Valhondo, M]]		[[Category: Valhondo, M]]
-	[[Category: ~~Jorgensen, W.L~~]]	+	[[Category: Inhibitor]]
-	[[Category: ~~Anderson, K.S~~]]	+	[[Category: Transferase]]
-	[[Category: ~~Czyzyk, D.J~~]]	+	[[Category: Transferase-transferase inhibitor complex]]
		+	[[Category: Ts-dhfr]]

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

2019-04-24T04:56:33Z

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

←Older revision

Revision as of 04:56, 24 April 2019

OCA: New page: '''Unreleased structure''' The entry 6ojs is ON HOLD until Paper Publication Authors: Czyzyk, D.J., Anderson, K.S., Jorgensen, W.L., Valhondo, M. Description: Crystal structure of TS-D...

2019-04-24T04:56:31Z

New page: '''Unreleased structure''' The entry 6ojs is ON HOLD until Paper Publication Authors: Czyzyk, D.J., Anderson, K.S., Jorgensen, W.L., Valhondo, M. Description: Crystal structure of TS-D...

New page

'''Unreleased structure'''

The entry 6ojs is ON HOLD until Paper Publication

Authors: Czyzyk, D.J., Anderson, K.S., Jorgensen, W.L., Valhondo, M.

Description: Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, MTX and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid
[[Category: Unreleased Structures]]
[[Category: Valhondo, M]]
[[Category: Jorgensen, W.L]]
[[Category: Anderson, K.S]]
[[Category: Czyzyk, D.J]]