4eft - Revision history

OCA at 08:49, 20 March 2024

2024-03-20T08:49:53Z

← Older revision		Revision as of 08:49, 20 March 2024
Line 4:		Line 4:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4EFT FirstGlance]. <br>		<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4EFT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</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]] 2.12Å</td></tr>
			<tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [https://pdbe.org/4eft PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [https://www.ebi.ac.uk/pdbsum/4eft PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4eft 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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [https://pdbe.org/4eft PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [https://www.ebi.ac.uk/pdbsum/4eft PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4eft 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 ==~~
	Inhibitors of the Hsp90 molecular chaperone are showing considerable promise as potential molecular therapeutic agents for the treatment of cancer. Here we describe the identification of novel small molecular weight inhibitors of Hsp90 using a fragment based approach. Fragments were selected by docking, tested in a biochemical assay and the confirmed hits were crystallized. Information gained from X-ray structures of these fragments and other chemotypes was used to drive the fragment evolution process. Optimization of these high muM binders resulted in 3-benzylindazole derivatives with significantly improved affinity and anti-proliferative effects in different human cancer cell lines.

	Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90.,Buchstaller HP, Eggenweiler HM, Sirrenberg C, Gradler U, Musil D, Hoppe E, Zimmermann A, Schwartz H, Marz J, Bomke J, Wegener A, Wolf M Bioorg Med Chem Lett. 2012 Jul 1;22(13):4396-403. Epub 2012 May 5. PMID:22632933<ref>PMID:22632933</ref>

	~~From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>~~
	~~</div>~~
	~~<div class="pdbe-citations 4eft" style="background-color:#fffaf0;"></div~~>

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

OCA at 07:09, 28 September 2022

2022-09-28T07:09:32Z

← Older revision		Revision as of 07:09, 28 September 2022
Line 1:		Line 1:

	==Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile==		==Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile==
	<StructureSection load='4eft' size='340' side='right' caption='[[4eft]], [[Resolution\|resolution]] 2.12Å' scene=''>		<StructureSection load='4eft' size='340' side='right'caption='[[4eft]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [~~http~~://~~oca~~.~~weizmann.ac.il/oca-docs~~/fgij/fg.htm?mol=4EFT FirstGlance]. <br>		<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4EFT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene>~~</td></tr>~~		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene></td></tr>
	~~<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3b28\|3b28]], [[4eeh\|4eeh]], [[4efu\|4efu]]</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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [https://pdbe.org/4eft PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [https://www.ebi.ac.uk/pdbsum/4eft PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4eft ProSAT]</span></td></tr>
	~~<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A ([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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [~~http~~://pdbe.org/4eft PDBe], [~~http~~://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [~~http~~://www.ebi.ac.uk/pdbsum/4eft PDBsum], [~~http~~://prosat.h-its.org/prosat/prosatexe?pdbcode=4eft 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 ==
Line 22:		Line 20:

	==See Also==		==See Also==
	*[[Heat Shock ~~Proteins~~\|Heat Shock ~~Proteins~~]]		*[[Heat Shock Protein structures\|Heat Shock Protein structures]]
	== References ==		== References ==
	<references/>		<references/>
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Human~~]]		[[Category: Homo sapiens]]
	[[Category: Buchstaller, H P]]		[[Category: Large Structures]]
	[[Category: Graedler, U]]		[[Category: Buchstaller H-P]]
	[[Category: Lehmann, M]]		[[Category: Graedler U]]
	[[Category: Musil, D]]		[[Category: Lehmann M]]
	~~[[Category: Atp binding]]~~		[[Category: Musil D]]
	~~[[Category: Chaperone-chaperone inhibitor complex~~]]

OCA at 00:36, 5 August 2016

2016-08-05T00:36:58Z

← Older revision		Revision as of 00:36, 5 August 2016
Line 1:		Line 1:

	==Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile==		==Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile==
	<StructureSection load='4eft' size='340' side='right' caption='[[4eft]], [[Resolution\|resolution]] 2.12Å' scene=''>		<StructureSection load='4eft' size='340' side='right' caption='[[4eft]], [[Resolution\|resolution]] 2.12Å' scene=''>
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EFT FirstGlance]. <br>		<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EFT FirstGlance]. <br>
	</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene></td></tr>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene></td></tr>
	<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3b28\|3b28]], [[4eeh\|4eeh]], [[4efu\|4efu]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3b28\|3b28]], [[4eeh\|4eeh]], [[4efu\|4efu]]</td></tr>
	<tr id='gene'><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A ([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 ([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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [http://www.ebi.ac.uk/pdbsum/4eft 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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [http://pdbe.org/4eft PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [http://www.ebi.ac.uk/pdbsum/4eft PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4eft ProSAT]</span></td></tr>
	</table>		</table>
	== Function ==		== Function ==
Line 18:		Line 19:
	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 4eft" style="background-color:#fffaf0;"></div>

	==See Also==		==See Also==
Line 25:		Line 27:
	__TOC__		__TOC__
	</StructureSection>		</StructureSection>
	[[Category: ~~Homo sapiens~~]]		[[Category: Human]]
	[[Category: Buchstaller, H P]]		[[Category: Buchstaller, H P]]
	[[Category: Graedler, U]]		[[Category: Graedler, U]]

OCA at 21:14, 24 December 2014

2014-12-24T21:14:40Z

← Older revision		Revision as of 21:14, 24 December 2014
Line 3:		Line 3:
	== Structural highlights ==		== Structural highlights ==
	<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EFT FirstGlance]. <br>		<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EFT FirstGlance]. <br>
	</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene><br>		</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene></td></tr>
	<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3b28\|3b28]], [[4eeh\|4eeh]], [[4efu\|4efu]]</td></tr>		<tr id='related'><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3b28\|3b28]], [[4eeh\|4eeh]], [[4efu\|4efu]]</td></tr>
	<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A ([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 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
	<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [http://www.ebi.ac.uk/pdbsum/4eft 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=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [http://www.ebi.ac.uk/pdbsum/4eft 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 ==
Line 24:		Line 26:
	</StructureSection>		</StructureSection>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Buchstaller, H P.]]		[[Category: Buchstaller, H P]]
	[[Category: Graedler, U.]]		[[Category: Graedler, U]]
	[[Category: Lehmann, M.]]		[[Category: Lehmann, M]]
	[[Category: Musil, D.]]		[[Category: Musil, D]]
	[[Category: Atp binding]]		[[Category: Atp binding]]
	[[Category: Chaperone-chaperone inhibitor complex]]		[[Category: Chaperone-chaperone inhibitor complex]]

OCA at 07:59, 5 June 2014

2014-06-05T07:59:05Z

← Older revision		Revision as of 07:59, 5 June 2014
Line 1:		Line 1:
	[[~~Image~~:~~4eft~~.~~jpg~~\|~~left~~\|~~200px~~]]		==Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile==
			<StructureSection load='4eft' size='340' side='right' caption='[[4eft]], [[Resolution\|resolution]] 2.12Å' scene=''>
			== Structural highlights ==
			<table><tr><td colspan='2'>[[4eft]] 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=4EFT OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EFT FirstGlance]. <br>
			</td></tr><tr><td class="sblockLbl"><b>[[Ligand\|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EFT:(2R)-3-CYCLOHEXYL-2-(6-HYDROXY-1H-INDAZOL-3-YL)PROPANENITRILE'>EFT</scene><br>
			<tr><td class="sblockLbl"><b>[[Related_structure\|Related:]]</b></td><td class="sblockDat">[[3b28\|3b28]], [[4eeh\|4eeh]], [[4efu\|4efu]]</td></tr>
			<tr><td class="sblockLbl"><b>[[Gene\|Gene:]]</b></td><td class="sblockDat">HSP90A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
			<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4eft FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4eft OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4eft RCSB], [http://www.ebi.ac.uk/pdbsum/4eft PDBsum]</span></td></tr>
			<table>
			<div style="background-color:#fffaf0;">
			== Publication Abstract from PubMed ==
			Inhibitors of the Hsp90 molecular chaperone are showing considerable promise as potential molecular therapeutic agents for the treatment of cancer. Here we describe the identification of novel small molecular weight inhibitors of Hsp90 using a fragment based approach. Fragments were selected by docking, tested in a biochemical assay and the confirmed hits were crystallized. Information gained from X-ray structures of these fragments and other chemotypes was used to drive the fragment evolution process. Optimization of these high muM binders resulted in 3-benzylindazole derivatives with significantly improved affinity and anti-proliferative effects in different human cancer cell lines.

	~~{{STRUCTURE_4eft\| PDB=4eft \| SCENE= }}~~		Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90.,Buchstaller HP, Eggenweiler HM, Sirrenberg C, Gradler U, Musil D, Hoppe E, Zimmermann A, Schwartz H, Marz J, Bomke J, Wegener A, Wolf M Bioorg Med Chem Lett. 2012 Jul 1;22(13):4396-403. Epub 2012 May 5. PMID:22632933<ref>PMID:22632933</ref>

	~~===Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile===~~		From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
			</div>

	~~{{ABSTRACT_PUBMED_22632933}}~~		==See Also==
			*[[Heat Shock Proteins\|Heat Shock Proteins]]
	==~~About this Structure~~==		== References ==
	[[~~4eft]] 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=4EFT OCA~~].		<references/>
			__TOC__
	==~~Reference~~==		</StructureSection>
	<~~ref group="xtra">PMID:022632933<~~/~~ref~~><~~references group="xtra"~~/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Buchstaller, H P.]]		[[Category: Buchstaller, H P.]]

OCA at 05:45, 27 June 2012

2012-06-27T05:45:54Z

← Older revision		Revision as of 05:45, 27 June 2012
Line 1:		Line 1:
	~~'''Unreleased structure'''~~		[[Image:4eft.jpg\|left\|200px]]

	~~The entry~~ 4eft ~~is ON HOLD~~		{{STRUCTURE_4eft\| PDB=4eft \| SCENE= }}

	~~Authors: Musil, D., Lehmann, M., Graedler, U., Buchstaller, H.~~-P.		===Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile===

	~~Description~~: ~~Hsp90 Alpha N~~-~~terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)~~-~~propionitrile~~		{{ABSTRACT_PUBMED_22632933}}

			==About this Structure==
			[[4eft]] 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=4EFT OCA].

			==Reference==
			<ref group="xtra">PMID:022632933</ref><references group="xtra"/>
			[[Category: Homo sapiens]]
			[[Category: Buchstaller, H P.]]
			[[Category: Graedler, U.]]
			[[Category: Lehmann, M.]]
			[[Category: Musil, D.]]
			[[Category: Atp binding]]
			[[Category: Chaperone-chaperone inhibitor complex]]

OCA at 07:31, 18 April 2012

2012-04-18T07:31:10Z

← Older revision		Revision as of 07:31, 18 April 2012
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	The entry 4eft is ON HOLD		The entry 4eft is ON HOLD

	Authors: Musil, D. , Lehmann, M. , Graedler, U, Buchstaller, H.-P.		Authors: Musil, D., Lehmann, M., Graedler, U., Buchstaller, H.-P.

	Description: Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile		Description: Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile

OCA: Protected "4eft" [edit=sysop:move=sysop]

2012-04-11T06:41:47Z

Protected "4eft" [edit=sysop:move=sysop]

← Older revision	Revision as of 06:41, 11 April 2012
(No difference)

OCA: New page: '''Unreleased structure''' The entry 4eft is ON HOLD Authors: Musil, D. , Lehmann, M. , Graedler, U, Buchstaller, H.-P. Description: Hsp90 Alpha N-terminal Domain in Complex with an In...

2012-04-11T06:41:47Z

New page: '''Unreleased structure''' The entry 4eft is ON HOLD Authors: Musil, D. , Lehmann, M. , Graedler, U, Buchstaller, H.-P. Description: Hsp90 Alpha N-terminal Domain in Complex with an In...

New page

'''Unreleased structure'''

The entry 4eft is ON HOLD

Authors: Musil, D. , Lehmann, M. , Graedler, U, Buchstaller, H.-P.

Description: Hsp90 Alpha N-terminal Domain in Complex with an Inhibitor 3-Cyclohexyl-2-(6-hydroxy-1H-indazol-3-yl)-propionitrile