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2wi1

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==ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE==
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<StructureSection load='2wi1' size='340' side='right' caption='[[2wi1]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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==Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone==
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<StructureSection load='2wi1' size='340' side='right'caption='[[2wi1]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[2wi1]] 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=2WI1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WI1 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[2wi1]] 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=2WI1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WI1 FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZZ2:4-(2-METHOXYETHOXY)-6-METHYLPYRIMIDIN-2-AMINE'>ZZ2</scene><br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.3&#8491;</td></tr>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1yes|1yes]], [[1uy9|1uy9]], [[2cdd|2cdd]], [[1byq|1byq]], [[1osf|1osf]], [[2bsm|2bsm]], [[1uy8|1uy8]], [[2bug|2bug]], [[2uwd|2uwd]], [[2bt0|2bt0]], [[1yer|1yer]], [[1uyg|1uyg]], [[2ccu|2ccu]], [[2bz5|2bz5]], [[2ccs|2ccs]], [[1uyf|1uyf]], [[1uyi|1uyi]], [[1yc3|1yc3]], [[1uyd|1uyd]], [[2byi|2byi]], [[1uy6|1uy6]], [[2vci|2vci]], [[2vcj|2vcj]], [[1yc4|1yc4]], [[2c2l|2c2l]], [[1uyh|1uyh]], [[1uyk|1uyk]], [[2cct|2cct]], [[1uyl|1uyl]], [[1uye|1uye]], [[1yc1|1yc1]], [[1uyc|1uyc]], [[1uy7|1uy7]], [[1yet|1yet]], [[2jjc|2jjc]], [[2byh|2byh]], [[2wi4|2wi4]], [[2wi2|2wi2]], [[2wi7|2wi7]], [[2wi6|2wi6]], [[2wi3|2wi3]], [[2wi5|2wi5]]</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZZ2:4-(2-METHOXYETHOXY)-6-METHYLPYRIMIDIN-2-AMINE'>ZZ2</scene></td></tr>
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<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=2wi1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wi1 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2wi1 RCSB], [http://www.ebi.ac.uk/pdbsum/2wi1 PDBsum]</span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2wi1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wi1 OCA], [https://pdbe.org/2wi1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wi1 RCSB], [https://www.ebi.ac.uk/pdbsum/2wi1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wi1 ProSAT]</span></td></tr>
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<table>
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</table>
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== Function ==
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[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>
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
<jmolCheckbox>
<jmolCheckbox>
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<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wi/2wi1_consurf.spt"</scriptWhenChecked>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wi/2wi1_consurf.spt"</scriptWhenChecked>
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
<text>to colour the structure by Evolutionary Conservation</text>
<text>to colour the structure by Evolutionary Conservation</text>
</jmolCheckbox>
</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/chain_selection.php?pdb_ID=2ata ConSurf].
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2wi1 ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
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<div class="pdbe-citations 2wi1" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Heat Shock Proteins|Heat Shock Proteins]]
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*[[Heat Shock Protein structures|Heat Shock Protein structures]]
== References ==
== References ==
<references/>
<references/>
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</StructureSection>
</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Barril, X.]]
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[[Category: Large Structures]]
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[[Category: Borgognoni, J.]]
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[[Category: Barril X]]
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[[Category: Brough, P A.]]
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[[Category: Borgognoni J]]
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[[Category: Chene, P.]]
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[[Category: Brough PA]]
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[[Category: Davies, N G.M.]]
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[[Category: Chene P]]
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[[Category: Davis, B.]]
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[[Category: Davies NGM]]
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[[Category: Drysdale, M J.]]
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[[Category: Davis B]]
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[[Category: Dymock, B.]]
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[[Category: Drysdale MJ]]
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[[Category: Eccles, S A.]]
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[[Category: Dymock B]]
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[[Category: Fromont, C.]]
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[[Category: Eccles SA]]
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[[Category: Garcia-Echeverria, C.]]
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[[Category: Fromont C]]
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[[Category: Hayes, A.]]
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[[Category: Garcia-Echeverria C]]
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[[Category: Hubbard, R E.]]
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[[Category: Hayes A]]
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[[Category: Jordan, A M.]]
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[[Category: Hubbard RE]]
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[[Category: Massey, A.]]
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[[Category: Jordan AM]]
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[[Category: Merret, A.]]
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[[Category: Massey A]]
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[[Category: Padfield, A.]]
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[[Category: Merret A]]
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[[Category: Parsons, R.]]
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[[Category: Padfield A]]
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[[Category: Radimerski, T.]]
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[[Category: Parsons R]]
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[[Category: Raynaud, F I.]]
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[[Category: Radimerski T]]
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[[Category: Robertson, A.]]
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[[Category: Raynaud FI]]
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[[Category: Roughley, S D.]]
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[[Category: Robertson A]]
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[[Category: Rugaard-Jensen, M.]]
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[[Category: Roughley SD]]
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[[Category: Schoepfer, J.]]
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[[Category: Rugaard-Jensen M]]
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[[Category: Simmonite, H.]]
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[[Category: Schoepfer J]]
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[[Category: Surgenor, A.]]
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[[Category: Simmonite H]]
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[[Category: Valenti, M.]]
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[[Category: Surgenor A]]
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[[Category: Walls, S.]]
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[[Category: Valenti M]]
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[[Category: Webb, P.]]
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[[Category: Walls S]]
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[[Category: Wood, M.]]
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[[Category: Webb P]]
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[[Category: Workman, P.]]
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[[Category: Wood M]]
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[[Category: Wright, L M.]]
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[[Category: Workman P]]
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[[Category: Atp-binding]]
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[[Category: Wright LM]]
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[[Category: Atpase]]
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[[Category: Chaperone]]
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[[Category: Heat shock]]
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[[Category: Hsp90]]
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[[Category: Nucleotide-binding]]
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[[Category: Phosphoprotein]]
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[[Category: Phosphorylation]]
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[[Category: Pu3]]
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[[Category: Stress response]]
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Current revision

Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone

PDB ID 2wi1

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