3r92 - Revision history

OCA at 10:53, 21 February 2024

OCA — Wed, 21 Feb 2024 10:53:06 GMT

←Older revision		Revision as of 10:53, 21 February 2024
Line 3:		Line 3:
	<StructureSection load='3r92' size='340' side='right'caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='3r92' size='340' side='right'caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3r92]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/~~Human Human~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3R92 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3r92]] 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=3R92 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3R92 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</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]] 1.5801Å</td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([https://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [https://pdbe.org/3r92 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [https://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [https://pdbe.org/3r92 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [https://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>	+	[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
-	~~<div style="background-color:#fffaf0;">~~	+
-	~~== Publication Abstract from PubMed ==~~	+
-	A novel series of macrocyclic ortho-aminobenzamide Hsp90 inhibitors is reported. In continuation of our research, heterocycle-containing tethers were explored with the intent to further improve potency and minimize hERG liabilities. This effort culminated in the discovery of compound 10, which efficiently suppressed proliferation of HCT116 and U87 cells. This compound showed prolonged Hsp90-inhibitory activity at least 24h post-administration consistent with elevated and prolonged exposure in the tumor. When studied in a xenograft model, the compound demonstrated significant suppression of tumor growth.	+
-		+
-	Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.,Zapf CW, Bloom JD, McBean JL, Dushin RG, Golas JM, Liu H, Lucas J, Boschelli F, Vogan E, Levin JI Bioorg Med Chem Lett. 2011 Jun 15;21(12):3627-31. Epub 2011 Apr 28. PMID:21605975<ref>PMID:21605975</ref>	+
-		+
-	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~	+
-	~~</div>~~	+
-	~~<div class="pdbe-citations 3r92" style="background-color:#fffaf0;"></div~~>	+

	==See Also==		==See Also==
Line 26:		Line 17:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Human~~]]	+	[[Category: Homo sapiens]]
	[[Category: Large Structures]]		[[Category: Large Structures]]
-	[[Category: Bloom~~, J D~~]]	+	[[Category: Bloom JD]]
-	[[Category: Boschelli, F]]	+	[[Category: Boschelli F]]
-	[[Category: Dushin~~, R G~~]]	+	[[Category: Dushin RG]]
-	[[Category: Golas~~, J M~~]]	+	[[Category: Golas JM]]
-	[[Category: Levin~~, J I~~]]	+	[[Category: Levin JI]]
-	[[Category: Liu, H]]	+	[[Category: Liu H]]
-	[[Category: Lucas, J]]	+	[[Category: Lucas J]]
-	[[Category: McBean~~, J L~~]]	+	[[Category: McBean JL]]
-	[[Category: Vogan~~, E M~~]]	+	[[Category: Vogan EM]]
-	[[Category: Zapf~~, C W]]~~	+	[[Category: Zapf CW]]
-	~~[[Category: Atp binding domain]]~~	+
-	~~[[Category: Atp-binding]]~~	+
-	~~[[Category: Chaperone]]~~	+
-	~~[[Category: Chaperone-chaperone inhibitor complex]]~~	+
-	~~[[Category: Nucleotide-binding]]~~	+
-	~~[[Category: Phosphoprotein]]~~	+
-	~~[[Category: Stress response~~]]	+

OCA at 05:53, 15 June 2022

OCA — Wed, 15 Jun 2022 05:53:51 GMT

←Older revision		Revision as of 05:53, 15 June 2022
Line 3:		Line 3:
	<StructureSection load='3r92' size='340' side='right'caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='3r92' size='340' side='right'caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3r92]] 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=3R92 OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://proteopedia.org/fgij/fg.htm?mol=3R92 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3r92]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3R92 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([~~http~~://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([https://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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [~~http~~://pdbe.org/3r92 PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [https://pdbe.org/3r92 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [https://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
-	[[~~http~~://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>	+	[[https://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 07:08, 15 April 2020

OCA — Wed, 15 Apr 2020 07:08:07 GMT

←Older revision		Revision as of 07:08, 15 April 2020
Line 1:		Line 1:

	==Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.==		==Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.==
-	<StructureSection load='3r92' size='340' side='right' caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>	+	<StructureSection load='3r92' size='340' side='right'caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3r92]] 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=3R92 OCA]. For a <b>guided tour on the structure components</b> use [http://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3R92 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3r92]] 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=3R92 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3R92 FirstGlance]. <br>
-	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>	+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>		<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([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://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://pdbe.org/3r92 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://pdbe.org/3r92 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 21:		Line 21:

	==See Also==		==See Also==
-	*[[Heat Shock ~~Proteins~~\|Heat Shock ~~Proteins~~]]	+	*[[Heat Shock Protein structures\|Heat Shock Protein structures]]
	== References ==		== References ==
	<references/>		<references/>
Line 27:		Line 27:
	</StructureSection>		</StructureSection>
	[[Category: Human]]		[[Category: Human]]
		+	[[Category: Large Structures]]
	[[Category: Bloom, J D]]		[[Category: Bloom, J D]]
	[[Category: Boschelli, F]]		[[Category: Boschelli, F]]

OCA at 12:11, 4 August 2016

OCA — Thu, 04 Aug 2016 12:11:50 GMT

←Older revision		Revision as of 12:11, 4 August 2016
Line 1:		Line 1:
		+
	==Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.==		==Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.==
	<StructureSection load='3r92' size='340' side='right' caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>		<StructureSection load='3r92' size='340' side='right' caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
-	<table><tr><td colspan='2'>[[3r92]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/~~Homo_sapiens Homo sapiens~~]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3R92 FirstGlance]. <br>	+	<table><tr><td colspan='2'>[[3r92]] 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=3R92 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3R92 FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>
-	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 ~~Homo sapiens~~])</td></tr>	+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([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://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://pdbe.org/3r92 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3r92 ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 17:		Line 18:
	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 3r92" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 24:		Line 26:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
-	[[Category: ~~Homo sapiens~~]]	+	[[Category: Human]]
	[[Category: Bloom, J D]]		[[Category: Bloom, J D]]
	[[Category: Boschelli, F]]		[[Category: Boschelli, F]]

OCA at 09:11, 25 December 2014

OCA — Thu, 25 Dec 2014 09:11:51 GMT

←Older revision		Revision as of 09:11, 25 December 2014
Line 7:		Line 7:
	<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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 PDBsum]</span></td></tr>
	</table>		</table>
		+	== Function ==
		+	[[http://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN]] Molecular chaperone that promotes the maturation, structural maintenance and proper regulation of specific target proteins involved for instance in cell cycle control and signal transduction. Undergoes a functional cycle that is linked to its ATPase activity. This cycle probably induces conformational changes in the client proteins, thereby causing their activation. Interacts dynamically with various co-chaperones that modulate its substrate recognition, ATPase cycle and chaperone function.<ref>PMID:15937123</ref> <ref>PMID:11274138</ref>
	<div style="background-color:#fffaf0;">		<div style="background-color:#fffaf0;">
	== Publication Abstract from PubMed ==		== Publication Abstract from PubMed ==

OCA at 10:48, 9 December 2014

OCA — Tue, 09 Dec 2014 10:48:08 GMT

←Older revision		Revision as of 10:48, 9 December 2014
Line 1:		Line 1:
-	[[~~Image:~~3r92.~~png~~\|~~left~~\|~~200px~~]]	+	==Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.==
		+	<StructureSection load='3r92' size='340' side='right' caption='[[3r92]], [[Resolution\|resolution]] 1.58Å' scene=''>
		+	== Structural highlights ==
		+	<table><tr><td colspan='2'>[[3r92]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3R92 FirstGlance]. <br>
		+	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=06J:(3AR)-13,13,16-TRIMETHYL-15-OXO-1,2,3,3A,4,5,12,14,15,17,18,19-DODECAHYDRO-13H-10,6-(METHENO)PYRROLO[2,1 3,4][1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-7-CARBOXAMIDE'>06J</scene></td></tr>
		+	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</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=3r92 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r92 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3r92 RCSB], [http://www.ebi.ac.uk/pdbsum/3r92 PDBsum]</span></td></tr>
		+	</table>
		+	<div style="background-color:#fffaf0;">
		+	== Publication Abstract from PubMed ==
		+	A novel series of macrocyclic ortho-aminobenzamide Hsp90 inhibitors is reported. In continuation of our research, heterocycle-containing tethers were explored with the intent to further improve potency and minimize hERG liabilities. This effort culminated in the discovery of compound 10, which efficiently suppressed proliferation of HCT116 and U87 cells. This compound showed prolonged Hsp90-inhibitory activity at least 24h post-administration consistent with elevated and prolonged exposure in the tumor. When studied in a xenograft model, the compound demonstrated significant suppression of tumor growth.

-	~~{{STRUCTURE_3r92\| PDB=3r92 \| SCENE= }}~~	+	Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.,Zapf CW, Bloom JD, McBean JL, Dushin RG, Golas JM, Liu H, Lucas J, Boschelli F, Vogan E, Levin JI Bioorg Med Chem Lett. 2011 Jun 15;21(12):3627-31. Epub 2011 Apr 28. PMID:21605975<ref>PMID:21605975</ref>

-	~~===Discovery~~ of ~~a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model~~.~~===~~	+	From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
-		+	</div>
-	~~{{ABSTRACT_PUBMED_21605975}}~~	+
-		+
-	~~==About this Structure==~~	+
-	~~[[3r92]] is a 1 chain structure with sequence from [http://en~~.~~wikipedia~~.~~org~~/~~wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA].~~	+

	==See Also==		==See Also==
	*[[Heat Shock Proteins\|Heat Shock Proteins]]		*[[Heat Shock Proteins\|Heat Shock Proteins]]
-		+	== References ==
-	==~~Reference~~==	+	<references/>
-	<~~ref group="xtra">PMID:021605975<~~/~~ref~~><~~references group="xtra"~~/>	+	__TOC__
		+	</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
-	[[Category: Bloom, J D.]]	+	[[Category: Bloom, J D]]
-	[[Category: Boschelli, F.]]	+	[[Category: Boschelli, F]]
-	[[Category: Dushin, R G.]]	+	[[Category: Dushin, R G]]
-	[[Category: Golas, J M.]]	+	[[Category: Golas, J M]]
-	[[Category: Levin, J I.]]	+	[[Category: Levin, J I]]
-	[[Category: Liu, H.]]	+	[[Category: Liu, H]]
-	[[Category: Lucas, J.]]	+	[[Category: Lucas, J]]
-	[[Category: McBean, J L.]]	+	[[Category: McBean, J L]]
-	[[Category: Vogan, E M.]]	+	[[Category: Vogan, E M]]
-	[[Category: Zapf, C W.]]	+	[[Category: Zapf, C W]]
	[[Category: Atp binding domain]]		[[Category: Atp binding domain]]
	[[Category: Atp-binding]]		[[Category: Atp-binding]]

OCA at 14:58, 20 October 2012

OCA — Sat, 20 Oct 2012 14:58:13 GMT

←Older revision		Revision as of 14:58, 20 October 2012
Line 8:		Line 8:

	==About this Structure==		==About this Structure==
-	[[3r92]] is a 1 chain structure ~~of [[Heat Shock Proteins]]~~ with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA].	+	[[3r92]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA].

	==See Also==		==See Also==

OCA at 16:52, 26 July 2012

OCA — Thu, 26 Jul 2012 16:52:00 GMT

←Older revision		Revision as of 16:52, 26 July 2012
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-	[[Image:3r92.~~jpg~~\|left\|200px]]	+	[[Image:3r92.png\|left\|200px]]

-	<!--
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-	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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	{{STRUCTURE_3r92\| PDB=3r92 \| SCENE= }}		{{STRUCTURE_3r92\| PDB=3r92 \| SCENE= }}

	===Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.===		===Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.===

-
-	<!--
-	The line below this paragraph, {{ABSTRACT_PUBMED_21605975}}, adds the Publication Abstract to the page
-	(as it appears on PubMed at http://www.pubmed.gov), where 21605975 is the PubMed ID number.
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	{{ABSTRACT_PUBMED_21605975}}		{{ABSTRACT_PUBMED_21605975}}

	==About this Structure==		==About this Structure==
-	[[3r92]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA].	+	[[3r92]] is a 1 chain structure of [[Heat Shock Proteins]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA].
		+
		+	==See Also==
		+	*[[Heat Shock Proteins\|Heat Shock Proteins]]

	==Reference==		==Reference==

OCA at 05:25, 15 June 2011

OCA — Wed, 15 Jun 2011 05:25:51 GMT

←Older revision		Revision as of 05:25, 15 June 2011
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	[[Category: Vogan, E M.]]		[[Category: Vogan, E M.]]
	[[Category: Zapf, C W.]]		[[Category: Zapf, C W.]]
		+	[[Category: Atp binding domain]]
		+	[[Category: Atp-binding]]
		+	[[Category: Chaperone]]
		+	[[Category: Chaperone-chaperone inhibitor complex]]
		+	[[Category: Nucleotide-binding]]
		+	[[Category: Phosphoprotein]]
		+	[[Category: Stress response]]

OCA at 05:09, 8 June 2011

OCA — Wed, 08 Jun 2011 05:09:50 GMT

←Older revision		Revision as of 05:09, 8 June 2011
Line 1:		Line 1:
-	~~'''Unreleased structure'''~~	+	[[Image:3r92.jpg\|left\|200px]]

-	The ~~entry 3r92~~ is ~~ON HOLD~~ ~~until Paper Publication~~	+	<!--
		+	The line below this paragraph, containing "STRUCTURE_3r92", creates the "Structure Box" on the page.
		+	You may change the PDB parameter (which sets the PDB file loaded into the applet)
		+	or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
		+	or leave the SCENE parameter empty for the default display.
		+	-->
		+	{{STRUCTURE_3r92\| PDB=3r92 \| SCENE= }}

-	~~Authors: Zapf, C.W., Bloom, J.D., McBean, J.L., Dushin, R.G., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E.M., Levin, J.I~~.	+	===Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.===

-	~~Description~~: ~~Discovery of a macrocyclic o~~-~~aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in~~ a ~~mouse xenograft model~~.	+
		+	<!--
		+	The line below this paragraph, {{ABSTRACT_PUBMED_21605975}}, adds the Publication Abstract to the page
		+	(as it appears on PubMed at http://www.pubmed.gov), where 21605975 is the PubMed ID number.
		+	-->
		+	{{ABSTRACT_PUBMED_21605975}}
		+
		+	==About this Structure==
		+	[[3r92]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R92 OCA].
		+
		+	==Reference==
		+	<ref group="xtra">PMID:021605975</ref><references group="xtra"/>
		+	[[Category: Homo sapiens]]
		+	[[Category: Bloom, J D.]]
		+	[[Category: Boschelli, F.]]
		+	[[Category: Dushin, R G.]]
		+	[[Category: Golas, J M.]]
		+	[[Category: Levin, J I.]]
		+	[[Category: Liu, H.]]
		+	[[Category: Lucas, J.]]
		+	[[Category: McBean, J L.]]
		+	[[Category: Vogan, E M.]]
		+	[[Category: Zapf, C W.]]