3wqq - Revision history

OCA at 08:46, 20 March 2024

OCA — Wed, 20 Mar 2024 08:46:30 GMT

←Older revision		Revision as of 08:46, 20 March 2024
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	<StructureSection load='3wqq' size='340' side='right'caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>		<StructureSection load='3wqq' size='340' side='right'caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Plafx Plafx~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum_HB3 Plasmodium falciparum HB3]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</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]] 2.25Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wqr\|3wqr]], [[3wqs\|3wqs]]</div></td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DXR ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=137071 PLAFX])</td></tr>~~	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [https://pdbe.org/3wqq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [https://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq 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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [https://pdbe.org/3wqq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [https://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/DXR_PLAFX DXR_PLAFX]] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).<ref>PMID:10477522</ref>	+	[https://www.uniprot.org/uniprot/DXR_PLAFX DXR_PLAFX] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).<ref>PMID:10477522</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	1-Deoxy-d-xylulose 5-phosphate reductoisomerase of Plasmodium falciparum (PfIspC, PfDxr), believed to be the rate-limiting enzyme of the nonmevalonate pathway of isoprenoid biosynthesis (MEP pathway), is a clinically validated antimalarial target. The enzyme is efficiently inhibited by the natural product fosmidomycin. To gain new insights into the structure activity relationships of reverse fosmidomycin analogs, several reverse analogs of fosmidomycin were synthesized and biologically evaluated. The 4-methoxyphenyl substituted derivative 2c showed potent inhibition of PfIspC as well as of P. falciparum growth and was more than one order of magnitude more active than fosmidomycin. The binding modes of three new derivatives in complex with PfIspC, reduced nicotinamide adenine dinucleotide phosphate, and Mg(2+) were determined by X-ray structure analysis. Notably, PfIspC selectively binds the S-enantiomers of the study compounds.	+
-		+
-	Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.,Konzuch S, Umeda T, Held J, Hahn S, Brucher K, Lienau C, Behrendt CT, Grawert T, Bacher A, Illarionov B, Fischer M, Mordmuller B, Tanaka N, Kurz T J Med Chem. 2014 Nov 13;57(21):8827-38. doi: 10.1021/jm500850y. Epub 2014 Oct 20. PMID:25254502<ref>PMID:25254502</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3wqq" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
-	*[[DXP reductoisomerase\|DXP reductoisomerase]]	+	*[[DXP reductoisomerase 3D Structures\|DXP reductoisomerase 3D Structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Plafx~~]]	+	[[Category: Plasmodium falciparum HB3]]
-	[[Category: Tanaka, N]]	+	[[Category: Tanaka N]]
-	[[Category: Umeda, T]]	+	[[Category: Umeda T]]
-	~~[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]~~	+
-	~~[[Category: Reductoisomerase~~]]	+

OCA at 05:46, 3 August 2022

OCA — Wed, 03 Aug 2022 05:46:36 GMT

←Older revision		Revision as of 05:46, 3 August 2022
Line 1:		Line 1:

	==Crystal structure of PfDXR complexed with inhibitor-3==		==Crystal structure of PfDXR complexed with inhibitor-3==
-	<StructureSection load='3wqq' size='340' side='right' caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>	+	<StructureSection load='3wqq' size='340' side='right'caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/Plafx Plafx]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Plafx Plafx]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
-	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wqr\|3wqr]], [[3wqs\|3wqs]]</td></tr>	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat"><div style='overflow: auto; max-height: 3em;'>[[3wqr\|3wqr]], [[3wqs\|3wqs]]</div></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DXR ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=137071 PLAFX])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DXR ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=137071 PLAFX])</td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[~~http~~://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [~~http~~://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </span></td></tr>	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[https://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [https://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [~~http~~://pdbe.org/3wqq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq 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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [https://pdbe.org/3wqq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [https://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/DXR_PLAFX DXR_PLAFX]] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).<ref>PMID:10477522</ref>	+	[[https://www.uniprot.org/uniprot/DXR_PLAFX DXR_PLAFX]] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).<ref>PMID:10477522</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 29:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]		[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
		+	[[Category: Large Structures]]
	[[Category: Plafx]]		[[Category: Plafx]]
	[[Category: Tanaka, N]]		[[Category: Tanaka, N]]

OCA at 09:29, 21 February 2019

OCA — Thu, 21 Feb 2019 09:29:33 GMT

←Older revision		Revision as of 09:29, 21 February 2019
Line 3:		Line 3:
	<StructureSection load='3wqq' size='340' side='right' caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>		<StructureSection load='3wqq' size='340' side='right' caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafx Plafx]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wqr\|3wqr]], [[3wqs\|3wqs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wqr\|3wqr]], [[3wqs\|3wqs]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">DXR ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=137071 PLAFX])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://pdbe.org/3wqq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq 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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://pdbe.org/3wqq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq ProSAT]</span></td></tr>
Line 28:		Line 29:
	</StructureSection>		</StructureSection>
	[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]		[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
		+	[[Category: Plafx]]
	[[Category: Tanaka, N]]		[[Category: Tanaka, N]]
	[[Category: Umeda, T]]		[[Category: Umeda, T]]
	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]		[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
	[[Category: Reductoisomerase]]		[[Category: Reductoisomerase]]

OCA at 15:05, 5 August 2016

OCA — Fri, 05 Aug 2016 15:05:22 GMT

←Older revision		Revision as of 15:05, 5 August 2016
Line 1:		Line 1:
		+
	==Crystal structure of PfDXR complexed with inhibitor-3==		==Crystal structure of PfDXR complexed with inhibitor-3==
	<StructureSection load='3wqq' size='340' side='right' caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>		<StructureSection load='3wqq' size='340' side='right' caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>
Line 6:		Line 7:
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wqr\|3wqr]], [[3wqs\|3wqs]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wqr\|3wqr]], [[3wqs\|3wqs]]</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq 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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://pdbe.org/3wqq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wqq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
	</div>		</div>
		+	<div class="pdbe-citations 3wqq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[DXP reductoisomerase\|DXP reductoisomerase]]
	== References ==		== References ==
	<references/>		<references/>

OCA at 19:48, 25 December 2014

OCA — Thu, 25 Dec 2014 19:48:16 GMT

←Older revision		Revision as of 19:48, 25 December 2014
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	<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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq 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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/DXR_PLAFX DXR_PLAFX]] Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).<ref>PMID:10477522</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 07:55, 26 November 2014

OCA — Wed, 26 Nov 2014 07:55:35 GMT

←Older revision		Revision as of 07:55, 26 November 2014
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-	'''~~Unreleased~~ structure'''	+	==Crystal structure of PfDXR complexed with inhibitor-3==
		+	<StructureSection load='3wqq' size='340' side='right' caption='[[3wqq]], [[Resolution\|resolution]] 2.25Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3wqq]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WQQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WQQ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=IB3:[(1S)-4-[HYDROXY(METHYL)AMINO]-1-(4-METHYLPHENYL)-4-OXOBUTYL]PHOSPHONIC+ACID'>IB3</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3wqr\|3wqr]], [[3wqs\|3wqs]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/1-deoxy-D-xylulose-5-phosphate_reductoisomerase 1-deoxy-D-xylulose-5-phosphate reductoisomerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.267 1.1.1.267] </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=3wqq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wqq OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wqq RCSB], [http://www.ebi.ac.uk/pdbsum/3wqq PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	1-Deoxy-d-xylulose 5-phosphate reductoisomerase of Plasmodium falciparum (PfIspC, PfDxr), believed to be the rate-limiting enzyme of the nonmevalonate pathway of isoprenoid biosynthesis (MEP pathway), is a clinically validated antimalarial target. The enzyme is efficiently inhibited by the natural product fosmidomycin. To gain new insights into the structure activity relationships of reverse fosmidomycin analogs, several reverse analogs of fosmidomycin were synthesized and biologically evaluated. The 4-methoxyphenyl substituted derivative 2c showed potent inhibition of PfIspC as well as of P. falciparum growth and was more than one order of magnitude more active than fosmidomycin. The binding modes of three new derivatives in complex with PfIspC, reduced nicotinamide adenine dinucleotide phosphate, and Mg(2+) were determined by X-ray structure analysis. Notably, PfIspC selectively binds the S-enantiomers of the study compounds.

-	~~The entry 3wqq is ON HOLD until Paper Publication~~	+	Binding Modes of Reverse Fosmidomycin Analogs toward the Antimalarial Target IspC.,Konzuch S, Umeda T, Held J, Hahn S, Brucher K, Lienau C, Behrendt CT, Grawert T, Bacher A, Illarionov B, Fischer M, Mordmuller B, Tanaka N, Kurz T J Med Chem. 2014 Nov 13;57(21):8827-38. doi: 10.1021/jm500850y. Epub 2014 Oct 20. PMID:25254502<ref>PMID:25254502</ref>

-	~~Authors~~: Tanaka, N., Umeda, T.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of PfDXR complexed with inhibitor~~-3	+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: 1-deoxy-D-xylulose-5-phosphate reductoisomerase]]
		+	[[Category: Tanaka, N]]
		+	[[Category: Umeda, T]]
		+	[[Category: Oxidoreductase-oxidoreductase inhibitor complex]]
		+	[[Category: Reductoisomerase]]

OCA at 07:33, 24 September 2014

OCA — Wed, 24 Sep 2014 07:33:24 GMT

←Older revision		Revision as of 07:33, 24 September 2014
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	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 3wqq is ON HOLD	+	The entry 3wqq is ON HOLD until Paper Publication

	Authors: Tanaka, N., Umeda, T.		Authors: Tanaka, N., Umeda, T.

	Description: Crystal structure of PfDXR complexed with inhibitor-3		Description: Crystal structure of PfDXR complexed with inhibitor-3

OCA: Protected "3wqq" [edit=sysop:move=sysop]

OCA — Thu, 13 Feb 2014 04:43:36 GMT

Protected "3wqq" [edit=sysop:move=sysop]

←Older revision

Revision as of 04:43, 13 February 2014

OCA: New page: '''Unreleased structure''' The entry 3wqq is ON HOLD Authors: Tanaka, N., Umeda, T. Description: Crystal structure of PfDXR complexed with inhibitor-3

OCA — Thu, 13 Feb 2014 04:43:36 GMT

New page: '''Unreleased structure''' The entry 3wqq is ON HOLD Authors: Tanaka, N., Umeda, T. Description: Crystal structure of PfDXR complexed with inhibitor-3

New page

'''Unreleased structure'''

The entry 3wqq is ON HOLD

Authors: Tanaka, N., Umeda, T.

Description: Crystal structure of PfDXR complexed with inhibitor-3