5diq - Revision history

OCA at 21:43, 28 June 2023

OCA — Wed, 28 Jun 2023 21:43:15 GMT

←Older revision		Revision as of 21:43, 28 June 2023
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	<StructureSection load='5diq' size='340' side='right'caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='5diq' size='340' side='right'caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5diq]] is a 1 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=5DIQ OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5DIQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5diq]] is a 1 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=5DIQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5DIQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</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='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dgn\|5dgn]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FDPS, FPS, KIAA1293 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])~~</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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [https://pdbe.org/5diq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [https://www.ebi.ac.uk/pdbsum/5diq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5diq 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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [~~http~~://pdbe.org/5diq PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5diq PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5diq ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/FPPS_HUMAN FPPS_HUMAN]] Key enzyme in isoprenoid biosynthesis which catalyzes the formation of farnesyl diphosphate (FPP), a precursor for several classes of essential metabolites including sterols, dolichols, carotenoids, and ubiquinones. FPP also serves as substrate for protein farnesylation and geranylgeranylation. Catalyzes the sequential condensation of isopentenyl pyrophosphate with the allylic pyrophosphates, dimethylallyl pyrophosphate, and then with the resultant geranylpyrophosphate to the ultimate product farnesyl pyrophosphate.	+	[https://www.uniprot.org/uniprot/FPPS_HUMAN FPPS_HUMAN] Key enzyme in isoprenoid biosynthesis which catalyzes the formation of farnesyl diphosphate (FPP), a precursor for several classes of essential metabolites including sterols, dolichols, carotenoids, and ubiquinones. FPP also serves as substrate for protein farnesylation and geranylgeranylation. Catalyzes the sequential condensation of isopentenyl pyrophosphate with the allylic pyrophosphates, dimethylallyl pyrophosphate, and then with the resultant geranylpyrophosphate to the ultimate product farnesyl pyrophosphate.
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bourgier, E]]	+	[[Category: Bourgier E]]
-	[[Category: Lehmann, S]]	+	[[Category: Lehmann S]]
-	[[Category: Rondeau~~, J M]]~~	+	[[Category: Rondeau JM]]
-	~~[[Category: Cholesterol biosynthesis]]~~	+
-	~~[[Category: Isoprene biosynthesis]]~~	+
-	~~[[Category: Transferase~~]]	+

OCA at 08:05, 8 April 2020

OCA — Wed, 08 Apr 2020 08:05:27 GMT

←Older revision		Revision as of 08:05, 8 April 2020
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	==Crystal structure of human FPPS in complex with salicylic acid derivative 3a==		==Crystal structure of human FPPS in complex with salicylic acid derivative 3a==
-	<StructureSection load='5diq' size='340' side='right' caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>	+	<StructureSection load='5diq' size='340' side='right'caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5diq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DIQ OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5DIQ FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5diq]] is a 1 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=5DIQ OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5DIQ FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dgn\|5dgn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dgn\|5dgn]]</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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [http://pdbe.org/5diq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [http://www.ebi.ac.uk/pdbsum/5diq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5diq ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">FDPS, FPS, KIAA1293 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [http://pdbe.org/5diq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [http://www.ebi.ac.uk/pdbsum/5diq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5diq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 19:		Line 20:
	</div>		</div>
	<div class="pdbe-citations 5diq" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5diq" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Farnesyl diphosphate synthase 3D structures\|Farnesyl diphosphate synthase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bourgier, E]]		[[Category: Bourgier, E]]
	[[Category: Lehmann, S]]		[[Category: Lehmann, S]]

OCA at 08:03, 27 July 2016

OCA — Wed, 27 Jul 2016 08:03:22 GMT

←Older revision		Revision as of 08:03, 27 July 2016
Line 1:		Line 1:
		+
	==Crystal structure of human FPPS in complex with salicylic acid derivative 3a==		==Crystal structure of human FPPS in complex with salicylic acid derivative 3a==
	<StructureSection load='5diq' size='340' side='right' caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>		<StructureSection load='5diq' size='340' side='right' caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>
Line 5:		Line 6:
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dgn\|5dgn]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dgn\|5dgn]]</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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [http://pdbe.org/5diq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [http://www.ebi.ac.uk/pdbsum/5diq 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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [http://pdbe.org/5diq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [http://www.ebi.ac.uk/pdbsum/5diq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5diq ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA at 14:34, 30 September 2015

OCA — Wed, 30 Sep 2015 14:34:47 GMT

←Older revision		Revision as of 14:34, 30 September 2015
Line 1:		Line 1:
-	'''~~Unreleased~~ structure'''	+	==Crystal structure of human FPPS in complex with salicylic acid derivative 3a==
		+	<StructureSection load='5diq' size='340' side='right' caption='[[5diq]], [[Resolution\|resolution]] 2.10Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[5diq]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5DIQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5DIQ FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5B9:2-(NAPHTHALEN-1-YLMETHOXY)BENZOIC+ACID'>5B9</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene></td></tr>
		+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5dgn\|5dgn]]</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=5diq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5diq OCA], [http://pdbe.org/5diq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5diq RCSB], [http://www.ebi.ac.uk/pdbsum/5diq PDBsum]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/FPPS_HUMAN FPPS_HUMAN]] Key enzyme in isoprenoid biosynthesis which catalyzes the formation of farnesyl diphosphate (FPP), a precursor for several classes of essential metabolites including sterols, dolichols, carotenoids, and ubiquinones. FPP also serves as substrate for protein farnesylation and geranylgeranylation. Catalyzes the sequential condensation of isopentenyl pyrophosphate with the allylic pyrophosphates, dimethylallyl pyrophosphate, and then with the resultant geranylpyrophosphate to the ultimate product farnesyl pyrophosphate.
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	Farnesyl pyrophosphate synthase (FPPS) is an established target for the treatment of bone diseases, but also shows promise as an anticancer and anti-infective drug target. Currently available anti-FPPS drugs are active-site-directed bisphosphonate inhibitors, the peculiar pharmacological profile of which is inadequate for therapeutic indications beyond bone diseases. The recent discovery of an allosteric binding site has paved the way toward the development of novel non-bisphosphonate FPPS inhibitors with broader therapeutic potential, notably as immunomodulators in oncology. Herein we report the discovery, by an integrated lead finding approach, of two new chemical classes of allosteric FPPS inhibitors that belong to the salicylic acid and quinoline chemotypes. We present their synthesis, biochemical and cellular activities, structure-activity relationships, and provide X-ray structures of several representative FPPS complexes. These novel allosteric FPPS inhibitors are devoid of any affinity for bone mineral and could serve as leads to evaluate their potential in none-bone diseases.

-	~~The entry 5diq is ON HOLD~~	+	Discovery of Novel Allosteric Non-Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding.,Marzinzik AL, Amstutz R, Bold G, Bourgier E, Cotesta S, Glickman JF, Gotte M, Henry C, Lehmann S, Hartwieg JC, Ofner S, Pelle X, Roddy TP, Rondeau JM, Stauffer F, Stout SJ, Widmer A, Zimmermann J, Zoller T, Jahnke W ChemMedChem. 2015 Sep 18. doi: 10.1002/cmdc.201500338. PMID:26381451<ref>PMID:26381451</ref>

-	~~Authors: Rondeau~~, J.M.~~, Bourgier, E., Lehmann, S~~.	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~Description~~: ~~Crystal structure of human FPPS in complex with salicylic acid derivative 3a~~	+	<div class="pdbe-citations 5diq" style="background-color:#fffaf0;"></div>
-	~~[[Category: Unreleased Structures]]~~	+	== References ==
-	[[Category: ~~Rondeau~~, ~~J.M~~]]	+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Bourgier, E]]
	[[Category: Lehmann, S]]		[[Category: Lehmann, S]]
-	[[Category: ~~Bourgier~~, E]]	+	[[Category: Rondeau, J M]]
		+	[[Category: Cholesterol biosynthesis]]
		+	[[Category: Isoprene biosynthesis]]
		+	[[Category: Transferase]]

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

OCA — Wed, 09 Sep 2015 10:16:24 GMT

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

←Older revision

Revision as of 10:16, 9 September 2015

OCA: New page: '''Unreleased structure''' The entry 5diq is ON HOLD Authors: Rondeau, J.M., Bourgier, E., Lehmann, S. Description: Crystal structure of human FPPS in complex with salicylic acid deriv...

OCA — Wed, 09 Sep 2015 10:16:22 GMT

New page: '''Unreleased structure''' The entry 5diq is ON HOLD Authors: Rondeau, J.M., Bourgier, E., Lehmann, S. Description: Crystal structure of human FPPS in complex with salicylic acid deriv...

New page

'''Unreleased structure'''

The entry 5diq is ON HOLD

Authors: Rondeau, J.M., Bourgier, E., Lehmann, S.

Description: Crystal structure of human FPPS in complex with salicylic acid derivative 3a
[[Category: Unreleased Structures]]
[[Category: Rondeau, J.M]]
[[Category: Lehmann, S]]
[[Category: Bourgier, E]]