5tle - Revision history

OCA at 14:14, 18 October 2023

OCA — Wed, 18 Oct 2023 14:14:11 GMT

←Older revision		Revision as of 14:14, 18 October 2023
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5TLE FirstGlance]. <br>		<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5TLE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</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]] 1.576Å</td></tr>
		+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</scene></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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [https://pdbe.org/5tle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [https://www.ebi.ac.uk/pdbsum/5tle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle 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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [https://pdbe.org/5tle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [https://www.ebi.ac.uk/pdbsum/5tle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle ProSAT]</span></td></tr>
	</table>		</table>

OCA at 07:40, 9 November 2022

OCA — Wed, 09 Nov 2022 07:40:40 GMT

←Older revision		Revision as of 07:40, 9 November 2022
Line 3:		Line 3:
	<StructureSection load='5tle' size='340' side='right'caption='[[5tle]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='5tle' size='340' side='right'caption='[[5tle]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~European_rabbit European rabbit~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5TLE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Oryctolagus_cuniculus Oryctolagus cuniculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5TLE FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</scene~~></td></tr>~~	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</scene></td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tlh\|5tlh]], [[5tlw\|5tlw]], [[5tlz\|5tlz]]</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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [https://pdbe.org/5tle PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [https://www.ebi.ac.uk/pdbsum/5tle PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle ProSAT]</span></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDOA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9986 European rabbit])</td></tr>	+
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Fructose-bisphosphate_aldolase Fructose-bisphosphate aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.13 4.1.2.13] </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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [~~http~~://pdbe.org/5tle PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5tle PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle ProSAT]</span></td></tr>	+
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ALDOA_RABIT ALDOA_RABIT]] Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein.<ref>PMID:17329259</ref>	+	[https://www.uniprot.org/uniprot/ALDOA_RABIT ALDOA_RABIT] Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein.<ref>PMID:17329259</ref>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	The glycolytic enzyme aldolase is an emerging drug target in diseases such as cancer and protozoan infections which are dependent on a hyperglycolytic phenotype to synthesize adenosine 5'-triphosphate and metabolic precursors for biomass production. To date, structural information for the enzyme in complex with phosphate-derived inhibitors has been lacking. Thus, we determined the crystal structure of mammalian aldolase in complex with naphthalene 2,6-bisphosphate (1) that served as a template for the design of bisphosphonate-based inhibitors, namely, 2-phosphate-naphthalene 6-bisphosphonate (2), 2-naphthol 6-bisphosphonate (3), and 1-phosphate-benzene 4-bisphosphonate (4). All inhibitors targeted the active site, and the most promising lead, 2, exhibited slow-binding inhibition with an overall inhibition constant of approximately 38 nM. Compound 2 inhibited proliferation of HeLa cancer cells, whereas HEK293 cells expressing a normal phenotype were not inhibited. The crystal structures delineated the essential features of high-affinity phosphate-derived inhibitors and provide a template for the development of inhibitors with prophylaxis potential.
		+
		+	Bisphosphonate Inhibitors of Mammalian Glycolytic Aldolase.,Heron PW, Abellan-Flos M, Salmon L, Sygusch J J Med Chem. 2018 Dec 13;61(23):10558-10572. doi: 10.1021/acs.jmedchem.8b01000., Epub 2018 Dec 3. PMID:30418024<ref>PMID:30418024</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5tle" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 19:		Line 25:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: European rabbit]]
-	[[Category: Fructose-bisphosphate aldolase]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Heron, P W~~]]	+	[[Category: Oryctolagus cuniculus]]
-	[[Category: ~~Sygusch, J~~]]	+	[[Category: Heron PW]]
-	[[Category: ~~Aldolase]]~~	+	[[Category: Sygusch J]]
-	~~[[Category: Bisphosphonate]]~~	+
-	~~[[Category: Complex]]~~	+
-	~~[[Category: Inhibitor]]~~	+
-	~~[[Category: Lyase]]~~	+
-	~~[[Category: Lyase-inhibitor complex~~]]	+

OCA at 08:18, 8 January 2020

OCA — Wed, 08 Jan 2020 08:18:37 GMT

←Older revision		Revision as of 08:18, 8 January 2020
Line 1:		Line 1:

	==Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate==		==Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate==
-	<StructureSection load='5tle' size='340' side='right' caption='[[5tle]], [[Resolution\|resolution]] 1.58Å' scene=''>	+	<StructureSection load='5tle' size='340' side='right'caption='[[5tle]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TLE FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/European_rabbit European rabbit]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TLE FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tlh\|5tlh]], [[5tlw\|5tlw]], [[5tlz\|5tlz]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tlh\|5tlh]], [[5tlw\|5tlw]], [[5tlz\|5tlz]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">ALDOA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9986 European rabbit])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Fructose-bisphosphate_aldolase Fructose-bisphosphate aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.13 4.1.2.13] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Fructose-bisphosphate_aldolase Fructose-bisphosphate aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.13 4.1.2.13] </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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [http://pdbe.org/5tle PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [http://www.ebi.ac.uk/pdbsum/5tle PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle 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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [http://pdbe.org/5tle PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [http://www.ebi.ac.uk/pdbsum/5tle PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle ProSAT]</span></td></tr>
Line 11:		Line 12:
	== Function ==		== Function ==
	[[http://www.uniprot.org/uniprot/ALDOA_RABIT ALDOA_RABIT]] Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein.<ref>PMID:17329259</ref>		[[http://www.uniprot.org/uniprot/ALDOA_RABIT ALDOA_RABIT]] Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein.<ref>PMID:17329259</ref>
		+
		+	==See Also==
		+	*[[Aldolase 3D structures\|Aldolase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: European rabbit]]
	[[Category: Fructose-bisphosphate aldolase]]		[[Category: Fructose-bisphosphate aldolase]]
		+	[[Category: Large Structures]]
	[[Category: Heron, P W]]		[[Category: Heron, P W]]
	[[Category: Sygusch, J]]		[[Category: Sygusch, J]]

OCA at 07:15, 25 October 2017

OCA — Wed, 25 Oct 2017 07:15:54 GMT

←Older revision		Revision as of 07:15, 25 October 2017
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry 5tle is ON HOLD until Paper Publication~~	+	==Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate==
-		+	<StructureSection load='5tle' size='340' side='right' caption='[[5tle]], [[Resolution\|resolution]] 1.58Å' scene=''>
-	~~Authors: Heron, P.W., Sygusch, J.~~	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5tle]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5TLE FirstGlance]. <br>
-	~~Description:~~ Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=RD1:{[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic+acid)'>RD1</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5tlh\|5tlh]], [[5tlw\|5tlw]], [[5tlz\|5tlz]]</td></tr>
-	[[Category: Heron, P.W]]	+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Fructose-bisphosphate_aldolase Fructose-bisphosphate aldolase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=4.1.2.13 4.1.2.13] </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=5tle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5tle OCA], [http://pdbe.org/5tle PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5tle RCSB], [http://www.ebi.ac.uk/pdbsum/5tle PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5tle ProSAT]</span></td></tr>
		+	</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/ALDOA_RABIT ALDOA_RABIT]] Plays a key role in glycolysis and gluconeogenesis. In addition, may also function as scaffolding protein.<ref>PMID:17329259</ref>
		+	== References ==
		+	<references/>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Fructose-bisphosphate aldolase]]
		+	[[Category: Heron, P W]]
	[[Category: Sygusch, J]]		[[Category: Sygusch, J]]
		+	[[Category: Aldolase]]
		+	[[Category: Bisphosphonate]]
		+	[[Category: Complex]]
		+	[[Category: Inhibitor]]
		+	[[Category: Lyase]]
		+	[[Category: Lyase-inhibitor complex]]

OCA at 17:11, 26 October 2016

OCA — Wed, 26 Oct 2016 17:11:43 GMT

←Older revision		Revision as of 17:11, 26 October 2016
Line 1:		Line 1:
	'''Unreleased structure'''		'''Unreleased structure'''

-	The entry 5tle is ON HOLD	+	The entry 5tle is ON HOLD until Paper Publication

	Authors: Heron, P.W., Sygusch, J.		Authors: Heron, P.W., Sygusch, J.

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

OCA — Wed, 19 Oct 2016 16:00:11 GMT

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

←Older revision

Revision as of 16:00, 19 October 2016

OCA: New page: '''Unreleased structure''' The entry 5tle is ON HOLD Authors: Heron, P.W., Sygusch, J. Description: Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor ...

OCA — Wed, 19 Oct 2016 16:00:10 GMT

New page: '''Unreleased structure''' The entry 5tle is ON HOLD Authors: Heron, P.W., Sygusch, J. Description: Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor ...

New page

'''Unreleased structure'''

The entry 5tle is ON HOLD

Authors: Heron, P.W., Sygusch, J.

Description: Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate
[[Category: Unreleased Structures]]
[[Category: Heron, P.W]]
[[Category: Sygusch, J]]