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==ORALLY ACTIVE 2-AMINO THIENOPYRIMIDINE INHIBITORS OF THE HSP90 CHAPERONE==
 
<StructureSection load='2wi2' size='340' side='right' caption='[[2wi2]], [[Resolution|resolution]] 2.09&Aring;' scene=''>
==Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone==
<StructureSection load='2wi2' size='340' side='right'caption='[[2wi2]], [[Resolution|resolution]] 2.09&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2wi2]] is a 2 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=2WI2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2WI2 FirstGlance]. <br>
<table><tr><td colspan='2'>[[2wi2]] is a 2 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=2WI2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2WI2 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=ZZ3:4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE'>ZZ3</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]] 2.09&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2cdd|2cdd]], [[1yes|1yes]], [[1uy9|1uy9]], [[1byq|1byq]], [[1osf|1osf]], [[2bsm|2bsm]], [[1uy8|1uy8]], [[2bug|2bug]], [[2uwd|2uwd]], [[2bt0|2bt0]], [[1yer|1yer]], [[1uyg|1uyg]], [[2bz5|2bz5]], [[2ccu|2ccu]], [[2ccs|2ccs]], [[1uyi|1uyi]], [[1yc3|1yc3]], [[1uyf|1uyf]], [[1uyd|1uyd]], [[2byi|2byi]], [[1uy6|1uy6]], [[2vci|2vci]], [[2vcj|2vcj]], [[1yc4|1yc4]], [[2c2l|2c2l]], [[1uyk|1uyk]], [[1uyh|1uyh]], [[2cct|2cct]], [[1uye|1uye]], [[1uyl|1uyl]], [[1yc1|1yc1]], [[1uy7|1uy7]], [[1uyc|1uyc]], [[1yet|1yet]], [[2jjc|2jjc]], [[2byh|2byh]], [[2wi4|2wi4]], [[2wi7|2wi7]], [[2wi6|2wi6]], [[2wi3|2wi3]], [[2wi1|2wi1]], [[2wi5|2wi5]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=ZZ3:4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE'>ZZ3</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=2wi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wi2 OCA], [http://pdbe.org/2wi2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2wi2 RCSB], [http://www.ebi.ac.uk/pdbsum/2wi2 PDBsum]</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=2wi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2wi2 OCA], [https://pdbe.org/2wi2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2wi2 RCSB], [https://www.ebi.ac.uk/pdbsum/2wi2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2wi2 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>  
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
Check<jmol>
   <jmolCheckbox>
   <jmolCheckbox>
     <scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wi/2wi2_consurf.spt"</scriptWhenChecked>
     <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/wi/2wi2_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>
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==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: Barril, X]]
[[Category: Large Structures]]
[[Category: Borgognoni, J]]
[[Category: Barril X]]
[[Category: Brough, P A]]
[[Category: Borgognoni J]]
[[Category: Chene, P]]
[[Category: Brough PA]]
[[Category: Davies, N G.M]]
[[Category: Chene P]]
[[Category: Davis, B]]
[[Category: Davies NGM]]
[[Category: Drysdale, M J]]
[[Category: Davis B]]
[[Category: Dymock, B]]
[[Category: Drysdale MJ]]
[[Category: Eccles, S A]]
[[Category: Dymock B]]
[[Category: Fromont, C]]
[[Category: Eccles SA]]
[[Category: Garcia-Echeverria, C]]
[[Category: Fromont C]]
[[Category: Hayes, A]]
[[Category: Garcia-Echeverria C]]
[[Category: Hubbard, R E]]
[[Category: Hayes A]]
[[Category: Jordan, A M]]
[[Category: Hubbard RE]]
[[Category: Massey, A]]
[[Category: Jordan AM]]
[[Category: Merret, A]]
[[Category: Massey A]]
[[Category: Padfield, A]]
[[Category: Merret A]]
[[Category: Parsons, R]]
[[Category: Padfield A]]
[[Category: Radimerski, T]]
[[Category: Parsons R]]
[[Category: Raynaud, F I]]
[[Category: Radimerski T]]
[[Category: Robertson, A]]
[[Category: Raynaud FI]]
[[Category: Roughley, S D]]
[[Category: Robertson A]]
[[Category: Rugaard-Jensen, M]]
[[Category: Roughley SD]]
[[Category: Schoepfer, J]]
[[Category: Rugaard-Jensen M]]
[[Category: Simmonite, H]]
[[Category: Schoepfer J]]
[[Category: Surgenor, A]]
[[Category: Simmonite H]]
[[Category: Valenti, M]]
[[Category: Surgenor A]]
[[Category: Walls, S]]
[[Category: Valenti M]]
[[Category: Webb, P]]
[[Category: Walls S]]
[[Category: Wood, M]]
[[Category: Webb P]]
[[Category: Workman, P]]
[[Category: Wood M]]
[[Category: Wright, L M]]
[[Category: Workman P]]
[[Category: Atp-binding]]
[[Category: Wright LM]]
[[Category: Atpase]]
[[Category: Chaperone]]
[[Category: Heat shock]]
[[Category: Hsp90]]
[[Category: Nucleotide-binding]]
[[Category: Phosphoprotein]]
[[Category: Phosphorylation]]
[[Category: Pu3]]
[[Category: Stress response]]

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