6hnr - Revision history

OCA at 11:33, 24 January 2024

2024-01-24T11:33:52Z

←Older revision		Revision as of 11:33, 24 January 2024
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	<StructureSection load='6hnr' size='340' side='right'caption='[[6hnr]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='6hnr' size='340' side='right'caption='[[6hnr]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hnr]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Trybb Trybb~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNR OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=6HNR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hnr]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Trypanosoma_brucei_brucei Trypanosoma brucei brucei]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6HNR FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GFE:1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine'>GFE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</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]] 1.58Å</td></tr>
-	~~<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene>, <scene name='pdbligand=GFE:1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine'>GFE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6hnc\|6hnc]]</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=6hnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnr OCA], [https://pdbe.org/6hnr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6hnr RCSB], [https://www.ebi.ac.uk/pdbsum/6hnr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnr ProSAT]</span></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])~~</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=6hnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnr OCA], [~~http~~://pdbe.org/6hnr PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=6hnr RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/6hnr PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnr ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/O76290_TRYBB O76290_TRYBB]
	<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 6hnr" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 6hnr" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Pteridine reductase\|Pteridine reductase]]
	== References ==		== References ==
	<references/>		<references/>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Trybb~~]]	+	[[Category: Trypanosoma brucei brucei]]
-	[[Category: Landi, G]]	+	[[Category: Landi G]]
-	[[Category: Mangani, S]]	+	[[Category: Mangani S]]
-	[[Category: Pozzi, C]]	+	[[Category: Pozzi C]]
-	~~[[Category: Oxidoreductase]]~~	+
-	~~[[Category: Pteridine reductase]]~~	+
-	~~[[Category: Ptr1]]~~	+
-	~~[[Category: Tbptr1]]~~	+
-	~~[[Category: Triazine inhibitor]]~~	+
-	~~[[Category: Trypanosoma brucei~~]]	+

OCA at 08:34, 24 July 2019

2019-07-24T08:34:41Z

←Older revision		Revision as of 08:34, 24 July 2019
Line 3:		Line 3:
	<StructureSection load='6hnr' size='340' side='right'caption='[[6hnr]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='6hnr' size='340' side='right'caption='[[6hnr]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[6hnr]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HNR FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[6hnr]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Trybb Trybb]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HNR FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GFE:1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine'>GFE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GFE:1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine'>GFE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>		<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6hnc\|6hnc]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6hnc\|6hnc]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">PTR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5702 TRYBB])</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=6hnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnr OCA], [http://pdbe.org/6hnr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hnr RCSB], [http://www.ebi.ac.uk/pdbsum/6hnr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnr 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=6hnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnr OCA], [http://pdbe.org/6hnr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hnr RCSB], [http://www.ebi.ac.uk/pdbsum/6hnr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnr ProSAT]</span></td></tr>
	</table>		</table>
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	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
		+	[[Category: Trybb]]
	[[Category: Landi, G]]		[[Category: Landi, G]]
	[[Category: Mangani, S]]		[[Category: Mangani, S]]

OCA at 11:18, 10 May 2019

2019-05-10T11:18:42Z

←Older revision		Revision as of 11:18, 10 May 2019
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 6hnr is ~~ON HOLD until Paper~~ Publication	+	==Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217)==
		+	<StructureSection load='6hnr' size='340' side='right'caption='[[6hnr]], [[Resolution\|resolution]] 1.58Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[6hnr]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6HNR OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6HNR FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=GFE:1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine'>GFE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
		+	<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue\|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[6hnc\|6hnc]]</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=6hnr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6hnr OCA], [http://pdbe.org/6hnr PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6hnr RCSB], [http://www.ebi.ac.uk/pdbsum/6hnr PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6hnr ProSAT]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Cycloguanil is a known dihydrofolate-reductase (DHFR) inhibitor, but there is no evidence of its activity on pteridine reductase (PTR), the main metabolic bypass to DHFR inhibition in trypanosomatid parasites. Here, we provide experimental evidence of cycloguanil as an inhibitor of Trypanosoma brucei PTR1 ( TbPTR1). A small library of cycloguanil derivatives was developed, resulting in 1 and 2a having IC50 values of 692 and 186 nM, respectively, toward TbPTR1. Structural analysis revealed that the increased potency of 1 and 2a is due to the combined contributions of hydrophobic interactions, H-bonds, and halogen bonds. Moreover, in vitro cell-growth-inhibition tests indicated that 2a is also effective on T. brucei. The simultaneous inhibition of DHFR and PTR1 activity in T. brucei is a promising new strategy for the treatment of human African trypanosomiasis. For this purpose, 1,6-dihydrotriazines represent new molecular tools to develop potent dual PTR and DHFR inhibitors.

-	~~Authors:~~ Landi, G., ~~Pozzi~~, C., Mangani, S.	+	Structural Insights into the Development of Cycloguanil Derivatives as Trypanosoma brucei Pteridine-Reductase-1 Inhibitors.,Landi G, Linciano P, Borsari C, Bertolacini CP, Moraes CB, Cordeiro-da-Silva A, Gul S, Witt G, Kuzikov M, Costi MP, Pozzi C, Mangani S ACS Infect Dis. 2019 May 1. doi: 10.1021/acsinfecdis.8b00358. PMID:31012301<ref>PMID:31012301</ref>

-	~~Description: Trypanosoma brucei PTR1 in complex with~~ the ~~triazine inhibitor 1 (F217)~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-	[[Category: ~~Unreleased~~ Structures]]	+	</div>
		+	<div class="pdbe-citations 6hnr" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Landi, G]]		[[Category: Landi, G]]
	[[Category: Mangani, S]]		[[Category: Mangani, S]]
	[[Category: Pozzi, C]]		[[Category: Pozzi, C]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Pteridine reductase]]
		+	[[Category: Ptr1]]
		+	[[Category: Tbptr1]]
		+	[[Category: Triazine inhibitor]]
		+	[[Category: Trypanosoma brucei]]

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

2018-09-26T06:13:28Z

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

←Older revision

Revision as of 06:13, 26 September 2018

OCA: New page: '''Unreleased structure''' The entry 6hnr is ON HOLD until Paper Publication Authors: Landi, G., Pozzi, C., Mangani, S. Description: Trypanosoma brucei PTR1 in complex with the triazin...

2018-09-26T06:13:26Z

New page: '''Unreleased structure''' The entry 6hnr is ON HOLD until Paper Publication Authors: Landi, G., Pozzi, C., Mangani, S. Description: Trypanosoma brucei PTR1 in complex with the triazin...

New page

'''Unreleased structure'''

The entry 6hnr is ON HOLD until Paper Publication

Authors: Landi, G., Pozzi, C., Mangani, S.

Description: Trypanosoma brucei PTR1 in complex with the triazine inhibitor 1 (F217)
[[Category: Unreleased Structures]]
[[Category: Landi, G]]
[[Category: Mangani, S]]
[[Category: Pozzi, C]]