5in9 - Revision history

OCA at 14:02, 30 August 2023

OCA — Wed, 30 Aug 2023 14:02:18 GMT

←Older revision		Revision as of 14:02, 30 August 2023
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	<StructureSection load='5in9' size='340' side='right'caption='[[5in9]], [[Resolution\|resolution]] 2.60Å' scene=''>		<StructureSection load='5in9' size='340' side='right'caption='[[5in9]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure with sequence from [~~http~~://en.wikipedia.org/wiki/~~Canlf Canlf~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Canis_lupus_familiaris Canis lupus familiaris]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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]] 2.6Å</td></tr>
-	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90B1, GRP94, TRA1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9615 CANLF])~~</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [~~http~~://pdbe.org/5in9 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/5in9 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=5in9 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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [https://pdbe.org/5in9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [https://www.ebi.ac.uk/pdbsum/5in9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5in9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[~~[http~~://www.uniprot.org/uniprot/ENPL_CANLF ENPL_CANLF]] Molecular chaperone that functions in the processing and transport of secreted proteins. When associated with CNPY3, required for proper folding of Toll-like receptors. Functions in endoplasmic reticulum associated degradation (ERAD). Has ATPase activity (By similarity).	+	[https://www.uniprot.org/uniprot/ENPL_CANLF ENPL_CANLF] Molecular chaperone that functions in the processing and transport of secreted proteins. When associated with CNPY3, required for proper folding of Toll-like receptors. Functions in endoplasmic reticulum associated degradation (ERAD). Has ATPase activity (By similarity).
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==
Line 23:		Line 23:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Canlf~~]]	+	[[Category: Canis lupus familiaris]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Huard~~, D J.E~~]]	+	[[Category: Huard DJE]]
-	[[Category: Kizziah~~, J L~~]]	+	[[Category: Kizziah JL]]
-	[[Category: Lieberman~~, R L]]~~	+	[[Category: Lieberman RL]]
-	~~[[Category: Atp binding site]]~~	+
-	~~[[Category: Bnim and radamide scaffold-based inhibitor]]~~	+
-	~~[[Category: Cation-pi interaction]]~~	+
-	~~[[Category: Chaperone-inhibitor complex~~]]	+

OCA at 07:24, 3 June 2020

OCA — Wed, 03 Jun 2020 07:24:58 GMT

←Older revision		Revision as of 07:24, 3 June 2020
Line 1:		Line 1:

	==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.==		==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.==
-	<StructureSection load='5in9' size='340' side='right' caption='[[5in9]], [[Resolution\|resolution]] 2.60Å' scene=''>	+	<StructureSection load='5in9' size='340' side='right'caption='[[5in9]], [[Resolution\|resolution]] 2.60Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Canlf Canlf]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [http://pdbe.org/5in9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [http://www.ebi.ac.uk/pdbsum/5in9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5in9 ProSAT]</span></td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90B1, GRP94, TRA1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9615 CANLF])</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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [http://pdbe.org/5in9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [http://www.ebi.ac.uk/pdbsum/5in9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5in9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
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	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
		+	[[Category: Canlf]]
		+	[[Category: Large Structures]]
	[[Category: Huard, D J.E]]		[[Category: Huard, D J.E]]
	[[Category: Kizziah, J L]]		[[Category: Kizziah, J L]]

OCA at 06:40, 26 July 2016

OCA — Tue, 26 Jul 2016 06:40:48 GMT

←Older revision		Revision as of 06:40, 26 July 2016
Line 5:		Line 5:
	<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>		<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [http://pdbe.org/5in9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [http://www.ebi.ac.uk/pdbsum/5in9 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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [http://pdbe.org/5in9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [http://www.ebi.ac.uk/pdbsum/5in9 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5in9 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==

OCA: Protected "5in9" [edit=sysop:move=sysop]

OCA — Wed, 11 May 2016 03:35:11 GMT

Protected "5in9" [edit=sysop:move=sysop]

←Older revision

Revision as of 03:35, 11 May 2016

OCA: New page: ==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaff...

OCA — Wed, 11 May 2016 03:35:06 GMT

New page: ==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaff...

New page

==Crystal structure of Grp94 bound to methyl 3-chloro-2-(2-(1-((5-chlorofuran-2-yl)methyl)-1H-imidazol-2-yl)ethyl)-4,6-dihydroxybenzoate, an inhibitor based on the BnIm and Radamide scaffolds.==
<StructureSection load='5in9' size='340' side='right' caption='[[5in9]], [[Resolution|resolution]] 2.60Å' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5in9]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5IN9 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5IN9 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=6C0:METHYL+3-CHLORO-2-(2-{1-[(5-CHLOROFURAN-2-YL)METHYL]-1H-IMIDAZOL-2-YL}ETHYL)-4,6-DIHYDROXYBENZOATE'>6C0</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></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=5in9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5in9 OCA], [http://pdbe.org/5in9 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5in9 RCSB], [http://www.ebi.ac.uk/pdbsum/5in9 PDBsum]</span></td></tr>
</table>
== Function ==
[[http://www.uniprot.org/uniprot/ENPL_CANLF ENPL_CANLF]] Molecular chaperone that functions in the processing and transport of secreted proteins. When associated with CNPY3, required for proper folding of Toll-like receptors. Functions in endoplasmic reticulum associated degradation (ERAD). Has ATPase activity (By similarity).
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Glucose regulated protein 94 (Grp94) is the endoplasmic reticulum resident of the heat shock protein 90 kDa (Hsp90) family of molecular chaperones. Grp94 associates with many proteins involved in cell adhesion and signaling, including integrins, Toll-like receptors, immunoglobulins, and mutant myocilin. Grp94 has been implicated as a target for several therapeutic areas including glaucoma, cancer metastasis, and multiple myeloma. While 85% identical to other Hsp90 isoforms, the N-terminal ATP-binding site of Grp94 possesses a unique hydrophobic pocket that was used to design isoform-selective inhibitors. Incorporation of a cis-amide bioisostere into the radamide scaffold led to development of the original Grp94-selective inhibitor, BnIm. Structure-activity relationship studies have now been performed on the aryl side chain of BnIm, which resulted in improved analogues that exhibit better potency and selectivity for Grp94. These analogues also manifest superior antimigratory activity in a metastasis model as well as enhanced mutant myocilin degradation in a glaucoma model compared to BnIm.

Development of Glucose Regulated Protein 94-Selective Inhibitors Based on the BnIm and Radamide Scaffold.,Crowley VM, Khandelwal A, Mishra S, Stothert AR, Huard DJ, Zhao J, Muth A, Duerfeldt AS, Kizziah JL, Lieberman RL, Dickey CA, Blagg BS J Med Chem. 2016 Apr 14;59(7):3471-88. doi: 10.1021/acs.jmedchem.6b00085. Epub, 2016 Apr 4. PMID:27003516<ref>PMID:27003516</ref>

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5in9" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Huard, D J.E]]
[[Category: Kizziah, J L]]
[[Category: Lieberman, R L]]
[[Category: Atp binding site]]
[[Category: Bnim and radamide scaffold-based inhibitor]]
[[Category: Cation-pi interaction]]
[[Category: Chaperone-inhibitor complex]]