5l42 - Revision history

OCA at 16:06, 4 October 2023

OCA — Wed, 04 Oct 2023 16:06:20 GMT

←Older revision		Revision as of 16:06, 4 October 2023
Line 3:		Line 3:
	<StructureSection load='5l42' size='340' side='right'caption='[[5l42]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='5l42' size='340' side='right'caption='[[5l42]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5l42]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L42 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5L42 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5l42]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Leishmania_major Leishmania major]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L42 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5L42 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6J6:(2~{R})-2-[3,4-BIS(OXIDANYL)PHENYL]-6-OXIDANYL-2,3-DIHYDROCHROMEN-4-ONE'>6J6</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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]] 2.1Å</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=6J6:(2~{R})-2-[3,4-BIS(OXIDANYL)PHENYL]-6-OXIDANYL-2,3-DIHYDROCHROMEN-4-ONE'>6J6</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=CSX:S-OXY+CYSTEINE'>CSX</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pteridine_reductase Pteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.33 1.5.1.33] </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=5l42 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l42 OCA], [https://pdbe.org/5l42 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5l42 RCSB], [https://www.ebi.ac.uk/pdbsum/5l42 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5l42 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=5l42 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l42 OCA], [~~http~~://pdbe.org/5l42 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5l42 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5l42 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5l42 ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/PTR1_LEIMA PTR1_LEIMA]] Exhibits a NADPH-dependent biopterin reductase activity. Has good activity with folate and significant activity with dihydrofolate and dihydrobiopterin, but not with quinonoid dihydrobiopterin. Confers resistance to methotrexate (MTX).<ref>PMID:7972081</ref>	+	[https://www.uniprot.org/uniprot/PTR1_LEIMA PTR1_LEIMA] Exhibits a NADPH-dependent biopterin reductase activity. Has good activity with folate and significant activity with dihydrofolate and dihydrobiopterin, but not with quinonoid dihydrobiopterin. Confers resistance to methotrexate (MTX).<ref>PMID:7972081</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 28:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Pteridine reductase]]
-	[[Category: Iacono, L Dello]]
-	[[Category: Landi, G]]
-	[[Category: Mangani, S]]
-	[[Category: Pisa, F Di]]
-	[[Category: Pozzi, C]]
	[[Category: Leishmania major]]		[[Category: Leishmania major]]
-	[[Category: ~~Oxidoreductase~~]]	+	[[Category: Dello Iacono L]]
-	[[Category: ~~Pteridine reductase 1~~]]	+	[[Category: Di Pisa F]]
-	[[Category: ~~Ptr1~~]]	+	[[Category: Landi G]]
		+	[[Category: Mangani S]]
		+	[[Category: Pozzi C]]

OCA at 06:43, 5 August 2020

OCA — Wed, 05 Aug 2020 06:43:04 GMT

←Older revision		Revision as of 06:43, 5 August 2020
Line 1:		Line 1:

	==Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3==		==Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3==
-	<StructureSection load='5l42' size='340' side='right' caption='[[5l42]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='5l42' size='340' side='right'caption='[[5l42]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5l42]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L42 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5L42 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5l42]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L42 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5L42 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6J6:(2~{R})-2-[3,4-BIS(OXIDANYL)PHENYL]-6-OXIDANYL-2,3-DIHYDROCHROMEN-4-ONE'>6J6</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6J6:(2~{R})-2-[3,4-BIS(OXIDANYL)PHENYL]-6-OXIDANYL-2,3-DIHYDROCHROMEN-4-ONE'>6J6</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pteridine_reductase Pteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.33 1.5.1.33] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pteridine_reductase Pteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.33 1.5.1.33] </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=5l42 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l42 OCA], [http://pdbe.org/5l42 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l42 RCSB], [http://www.ebi.ac.uk/pdbsum/5l42 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l42 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=5l42 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l42 OCA], [http://pdbe.org/5l42 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l42 RCSB], [http://www.ebi.ac.uk/pdbsum/5l42 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l42 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5l42" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5l42" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Pteridine reductase\|Pteridine reductase]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Large Structures]]
	[[Category: Pteridine reductase]]		[[Category: Pteridine reductase]]
	[[Category: Iacono, L Dello]]		[[Category: Iacono, L Dello]]

OCA at 13:06, 6 November 2017

OCA — Mon, 06 Nov 2017 13:06:08 GMT

←Older revision		Revision as of 13:06, 6 November 2017
Line 20:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5l42" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5l42" style="background-color:#fffaf0;"></div>
-
-	==See Also==
-	*[[Pteridine reductase\|Pteridine reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 10:01, 27 September 2017

OCA — Wed, 27 Sep 2017 10:01:01 GMT

←Older revision		Revision as of 10:01, 27 September 2017
Line 11:		Line 11:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/PTR1_LEIMA PTR1_LEIMA]] Exhibits a NADPH-dependent biopterin reductase activity. Has good activity with folate and significant activity with dihydrofolate and dihydrobiopterin, but not with quinonoid dihydrobiopterin. Confers resistance to methotrexate (MTX).<ref>PMID:7972081</ref>		[[http://www.uniprot.org/uniprot/PTR1_LEIMA PTR1_LEIMA]] Exhibits a NADPH-dependent biopterin reductase activity. Has good activity with folate and significant activity with dihydrofolate and dihydrobiopterin, but not with quinonoid dihydrobiopterin. Confers resistance to methotrexate (MTX).<ref>PMID:7972081</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Flavonoids have previously been identified as antiparasitic agents and pteridine reductase 1 (PTR1) inhibitors. Herein, we focus our attention on the chroman-4-one scaffold. Three chroman-4-one analogues (1-3) of previously published chromen-4-one derivatives were synthesized and biologically evaluated against parasitic enzymes (Trypanosoma brucei PTR1-TbPTR1 and Leishmania major-LmPTR1) and parasites (Trypanosoma brucei and Leishmania infantum). A crystal structure of TbPTR1 in complex with compound 1 and the first crystal structures of LmPTR1-flavanone complexes (compounds 1 and 3) were solved. The inhibitory activity of the chroman-4-one and chromen-4-one derivatives was explained by comparison of observed and predicted binding modes of the compounds. Compound 1 showed activity both against the targeted enzymes and the parasites with a selectivity index greater than 7 and a low toxicity. Our results provide a basis for further scaffold optimization and structure-based drug design aimed at the identification of potent anti-trypanosomatidic compounds targeting multiple PTR1 variants.
		+
		+	Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.,Di Pisa F, Landi G, Dello Iacono L, Pozzi C, Borsari C, Ferrari S, Santucci M, Santarem N, Cordeiro-da-Silva A, Moraes CB, Alcantara LM, Fontana V, Freitas-Junior LH, Gul S, Kuzikov M, Behrens B, Pohner I, Wade RC, Costi MP, Mangani S Molecules. 2017 Mar 8;22(3). pii: E426. doi: 10.3390/molecules22030426. PMID:28282886<ref>PMID:28282886</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5l42" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Pteridine reductase\|Pteridine reductase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 13:08, 4 May 2017

OCA — Thu, 04 May 2017 13:08:57 GMT

←Older revision		Revision as of 13:08, 4 May 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5l42 ~~is ON HOLD~~	+	==Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3==
-		+	<StructureSection load='5l42' size='340' side='right' caption='[[5l42]], [[Resolution\|resolution]] 2.10Å' scene=''>
-	~~Authors~~: ~~Dello Iacono, L~~., ~~Di Pisa~~, F., ~~Pozzi~~, C., ~~Landi~~, G., ~~Mangani~~, S.	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5l42]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L42 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5L42 FirstGlance]. <br>
-	~~Description~~: ~~Leishmania major Pteridine~~ reductase 1 (~~PTR1~~) ~~in complex with compound 3~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6J6:(2~{R})-2-[3,4-BIS(OXIDANYL)PHENYL]-6-OXIDANYL-2,3-DIHYDROCHROMEN-4-ONE'>6J6</scene>, <scene name='pdbligand=ACT:ACETATE+ION'>ACT</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<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='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Pteridine_reductase Pteridine reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.5.1.33 1.5.1.33] </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=5l42 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l42 OCA], [http://pdbe.org/5l42 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l42 RCSB], [http://www.ebi.ac.uk/pdbsum/5l42 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l42 ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/PTR1_LEIMA PTR1_LEIMA]] Exhibits a NADPH-dependent biopterin reductase activity. Has good activity with folate and significant activity with dihydrofolate and dihydrobiopterin, but not with quinonoid dihydrobiopterin. Confers resistance to methotrexate (MTX).<ref>PMID:7972081</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Pteridine reductase]]
		+	[[Category: Iacono, L Dello]]
	[[Category: Landi, G]]		[[Category: Landi, G]]
	[[Category: Mangani, S]]		[[Category: Mangani, S]]
-	[[Category: Di Pisa, F]]	+	[[Category: Pisa, F Di]]
-	~~[[Category: Dello Iacono, L~~]]	+
	[[Category: Pozzi, C]]		[[Category: Pozzi, C]]
		+	[[Category: Leishmania major]]
		+	[[Category: Oxidoreductase]]
		+	[[Category: Pteridine reductase 1]]
		+	[[Category: Ptr1]]

OCA at 10:31, 9 March 2017

OCA — Thu, 09 Mar 2017 10:31:00 GMT

←Older revision		Revision as of 10:31, 9 March 2017
Line 8:		Line 8:
	[[Category: Unreleased Structures]]		[[Category: Unreleased Structures]]
	[[Category: Landi, G]]		[[Category: Landi, G]]
-	[[Category: Pozzi, C]]
	[[Category: Mangani, S]]		[[Category: Mangani, S]]
	[[Category: Di Pisa, F]]		[[Category: Di Pisa, F]]
	[[Category: Dello Iacono, L]]		[[Category: Dello Iacono, L]]
		+	[[Category: Pozzi, C]]

OCA: Protected "5l42" [edit=sysop:move=sysop]

OCA — Wed, 01 Jun 2016 14:28:38 GMT

Protected "5l42" [edit=sysop:move=sysop]

←Older revision

Revision as of 14:28, 1 June 2016

OCA: New page: '''Unreleased structure''' The entry 5l42 is ON HOLD Authors: Dello Iacono, L., Di Pisa, F., Pozzi, C., Landi, G., Mangani, S. Description: Leishmania major Pteridine reductase 1 (PTR1...

OCA — Wed, 01 Jun 2016 14:28:36 GMT

New page: '''Unreleased structure''' The entry 5l42 is ON HOLD Authors: Dello Iacono, L., Di Pisa, F., Pozzi, C., Landi, G., Mangani, S. Description: Leishmania major Pteridine reductase 1 (PTR1...

New page

'''Unreleased structure'''

The entry 5l42 is ON HOLD

Authors: Dello Iacono, L., Di Pisa, F., Pozzi, C., Landi, G., Mangani, S.

Description: Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 3
[[Category: Unreleased Structures]]
[[Category: Landi, G]]
[[Category: Pozzi, C]]
[[Category: Mangani, S]]
[[Category: Di Pisa, F]]
[[Category: Dello Iacono, L]]