5l0e - Revision history

OCA at 16:04, 4 October 2023

2023-10-04T16:04:08Z

←Older revision		Revision as of 16:04, 4 October 2023
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	<StructureSection load='5l0e' size='340' side='right'caption='[[5l0e]], [[Resolution\|resolution]] 3.06Å' scene=''>		<StructureSection load='5l0e' size='340' side='right'caption='[[5l0e]], [[Resolution\|resolution]] 3.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5l0e]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Buffalo_rat Buffalo rat~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L0E OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5L0E FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5l0e]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Rattus_norvegicus Rattus norvegicus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L0E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5L0E FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6ZN:6-(3-{2-[(2,3-DIHYDRO-1H-INDEN-2-YL)AMINO]-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL}PROPANOYL)-1,3-BENZOXAZOL-2(3H)-ONE'>6ZN</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=~~NAG~~:~~N-ACETYL~~-D-~~GLUCOSAMINE~~'>~~NAG~~</scene>, <scene name='pdbligand=ZN:~~ZINC+ION~~'>ZN</scene>, <scene name='pdbligand=~~MAN~~:~~ALPHA-D-MANNOSE~~'>~~MAN~~</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]] 3.06Å</td></tr>
-	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5l0b\|5l0b]], [[5l0k\|5l0k]]</td></tr>~~	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6ZN:6-(3-{2-[(2,3-DIHYDRO-1H-INDEN-2-YL)AMINO]-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL}PROPANOYL)-1,3-BENZOXAZOL-2(3H)-ONE'>6ZN</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Enpp2, Atx, Npps2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [https://pdbe.org/5l0e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [https://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e ProSAT]</span></td></tr>
-	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alkylglycerophosphoethanolamine_phosphodiesterase Alkylglycerophosphoethanolamine phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.39 3.1.4.39] </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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [~~http~~://pdbe.org/5l0e PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e ProSAT]</span></td></tr>	+
	</table>		</table>
		+	== Function ==
		+	[https://www.uniprot.org/uniprot/ENPP2_RAT ENPP2_RAT]
	<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: Alkylglycerophosphoethanolamine phosphodiesterase]]
-	[[Category: Buffalo rat]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: ~~Durbin, J D~~]]	+	[[Category: Rattus norvegicus]]
-	[[Category: ~~Hydrolase-hydrolase inhibitor complex]]~~	+	[[Category: Durbin JD]]
-	~~[[Category: Phospholipase~~]]	+

OCA at 06:38, 5 August 2020

2020-08-05T06:38:47Z

←Older revision		Revision as of 06:38, 5 August 2020
Line 1:		Line 1:

	==Crystal Structure of Autotaxin and Compound 1==		==Crystal Structure of Autotaxin and Compound 1==
-	<StructureSection load='5l0e' size='340' side='right' caption='[[5l0e]], [[Resolution\|resolution]] 3.06Å' scene=''>	+	<StructureSection load='5l0e' size='340' side='right'caption='[[5l0e]], [[Resolution\|resolution]] 3.06Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5l0e]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L0E OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5L0E FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5l0e]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Buffalo_rat Buffalo rat]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L0E OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5L0E FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6ZN:6-(3-{2-[(2,3-DIHYDRO-1H-INDEN-2-YL)AMINO]-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL}PROPANOYL)-1,3-BENZOXAZOL-2(3H)-ONE'>6ZN</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=~~MAN~~:~~ALPHA~~-D-~~MANNOSE~~'>~~MAN~~</scene>, <scene name='pdbligand=~~NAG~~:~~N-ACETYL-D-GLUCOSAMINE~~'>~~NAG~~</scene>, <scene name='pdbligand=ZN:~~ZINC+ION~~'>ZN</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6ZN:6-(3-{2-[(2,3-DIHYDRO-1H-INDEN-2-YL)AMINO]-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL}PROPANOYL)-1,3-BENZOXAZOL-2(3H)-ONE'>6ZN</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5l0b\|5l0b]], [[5l0k\|5l0k]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5l0b\|5l0b]], [[5l0k\|5l0k]]</td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">Enpp2, Atx, Npps2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Buffalo rat])</td></tr>
	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alkylglycerophosphoethanolamine_phosphodiesterase Alkylglycerophosphoethanolamine phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.39 3.1.4.39] </span></td></tr>		<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alkylglycerophosphoethanolamine_phosphodiesterase Alkylglycerophosphoethanolamine phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.39 3.1.4.39] </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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [http://pdbe.org/5l0e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [http://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e 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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [http://pdbe.org/5l0e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [http://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e ProSAT]</span></td></tr>
	</table>		</table>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
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	</div>		</div>
	<div class="pdbe-citations 5l0e" style="background-color:#fffaf0;"></div>		<div class="pdbe-citations 5l0e" style="background-color:#fffaf0;"></div>
		+
		+	==See Also==
		+	*[[Ectonucleotide pyrophosphatase/phosphodiesterase 3D structures\|Ectonucleotide pyrophosphatase/phosphodiesterase 3D structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 23:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Alkylglycerophosphoethanolamine phosphodiesterase]]		[[Category: Alkylglycerophosphoethanolamine phosphodiesterase]]
		+	[[Category: Buffalo rat]]
		+	[[Category: Large Structures]]
	[[Category: Durbin, J D]]		[[Category: Durbin, J D]]
	[[Category: Hydrolase-hydrolase inhibitor complex]]		[[Category: Hydrolase-hydrolase inhibitor complex]]
	[[Category: Phospholipase]]		[[Category: Phospholipase]]

OCA at 14:09, 5 October 2016

2016-10-05T14:09:29Z

←Older revision		Revision as of 14:09, 5 October 2016
Line 9:		Line 9:
	<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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [http://pdbe.org/5l0e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [http://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e 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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [http://pdbe.org/5l0e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [http://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e ProSAT]</span></td></tr>
	</table>		</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	In an effort to develop a novel therapeutic agent aimed at addressing the unmet need of patients with osteoarthritis pain, we set out to develop an inhibitor for autotaxin with excellent potency and physical properties to allow for the clinical investigation of autotaxin-induced nociceptive and neuropathic pain. An initial hit identification campaign led to an aminopyrimidine series with an autotaxin IC50 of 500 nM. X-ray crystallography enabled the optimization to a lead compound that demonstrated favorable potency (IC50 = 2 nM), PK properties, and a robust PK/PD relationship.
		+
		+	Novel Autotaxin Inhibitors for the Treatment of Osteoarthritis Pain: Lead Optimization via Structure-Based Drug Design.,Jones SB, Pfeifer LA, Bleisch TJ, Beauchamp TJ, Durbin JD, Klimkowski VJ, Hughes NE, Rito CJ, Dao Y, Gruber JM, Bui H, Chambers MG, Chandrasekhar S, Lin C, McCann DJ, Mudra DR, Oskins JL, Swearingen CA, Thirunavukkarasu K, Norman BH ACS Med Chem Lett. 2016 Aug 2;7(9):857-61. doi: 10.1021/acsmedchemlett.6b00207., eCollection 2016 Sep 8. PMID:27660691<ref>PMID:27660691</ref>
		+
		+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
		+	</div>
		+	<div class="pdbe-citations 5l0e" style="background-color:#fffaf0;"></div>
		+	== References ==
		+	<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>

OCA at 16:31, 10 August 2016

2016-08-10T16:31:10Z

←Older revision		Revision as of 16:31, 10 August 2016
Line 1:		Line 1:
-	'''Unreleased structure'''

-	~~The entry~~ 5l0e is ~~ON HOLD~~	+	==Crystal Structure of Autotaxin and Compound 1==
-		+	<StructureSection load='5l0e' size='340' side='right' caption='[[5l0e]], [[Resolution\|resolution]] 3.06Å' scene=''>
-	~~Authors~~:	+	== Structural highlights ==
-		+	<table><tr><td colspan='2'>[[5l0e]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5L0E OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5L0E FirstGlance]. <br>
-	~~Description~~:	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6ZN:6-(3-{2-[(2,3-DIHYDRO-1H-INDEN-2-YL)AMINO]-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-6(5H)-YL}PROPANOYL)-1,3-BENZOXAZOL-2(3H)-ONE'>6ZN</scene>, <scene name='pdbligand=BMA:BETA-D-MANNOSE'>BMA</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
-	[[Category: ~~Unreleased Structures~~]]	+	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[5l0b\|5l0b]], [[5l0k\|5l0k]]</td></tr>
		+	<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alkylglycerophosphoethanolamine_phosphodiesterase Alkylglycerophosphoethanolamine phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.39 3.1.4.39] </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=5l0e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5l0e OCA], [http://pdbe.org/5l0e PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5l0e RCSB], [http://www.ebi.ac.uk/pdbsum/5l0e PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5l0e ProSAT]</span></td></tr>
		+	</table>
		+	__TOC__
		+	</StructureSection>
		+	[[Category: Alkylglycerophosphoethanolamine phosphodiesterase]]
		+	[[Category: Durbin, J D]]
		+	[[Category: Hydrolase-hydrolase inhibitor complex]]
		+	[[Category: Phospholipase]]

OCA: Protected "5l0e" [edit=sysop:move=sysop]

2016-08-04T02:19:51Z

Protected "5l0e" [edit=sysop:move=sysop]

←Older revision

Revision as of 02:19, 4 August 2016

OCA: New page: '''Unreleased structure''' The entry 5l0e is ON HOLD Authors: Description: Category: Unreleased Structures

2016-08-04T02:19:49Z

New page: '''Unreleased structure''' The entry 5l0e is ON HOLD Authors: Description: Category: Unreleased Structures

New page

'''Unreleased structure'''

The entry 5l0e is ON HOLD

Authors:

Description:
[[Category: Unreleased Structures]]