4fcq

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[[Image:4fcq.jpg|left|200px]]
 
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{{STRUCTURE_4fcq| PDB=4fcq | SCENE= }}
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==Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization==
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<StructureSection load='4fcq' size='340' side='right'caption='[[4fcq]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4fcq]] 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=4FCQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4FCQ FirstGlance]. <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]] 2.151&#8491;</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=2N6:4-(2,4-DIMETHYLPHENYL)-2-(METHYLSULFANYL)-7H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE'>2N6</scene></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=4fcq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fcq OCA], [https://pdbe.org/4fcq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fcq RCSB], [https://www.ebi.ac.uk/pdbsum/4fcq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fcq ProSAT]</span></td></tr>
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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>
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===Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization===
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==See Also==
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*[[Heat Shock Protein structures|Heat Shock Protein structures]]
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{{ABSTRACT_PUBMED_23018093}}
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== References ==
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<references/>
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==About this Structure==
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__TOC__
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[[4fcq]] 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=4FCQ OCA].
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Brough, P.]]
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[[Category: Large Structures]]
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[[Category: Browne, H.]]
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[[Category: Brough P]]
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[[Category: Davies, N G.]]
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[[Category: Browne H]]
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[[Category: Davis, B.]]
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[[Category: Davies NG]]
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[[Category: Drysdale, M J.]]
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[[Category: Davis B]]
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[[Category: Foloppe, N.]]
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[[Category: Drysdale MJ]]
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[[Category: Geoffrey, S.]]
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[[Category: Foloppe N]]
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[[Category: Gibbons, B.]]
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[[Category: Geoffrey S]]
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[[Category: Hart, T.]]
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[[Category: Gibbons B]]
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[[Category: Jensen, M R.]]
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[[Category: Hart T]]
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[[Category: Mansell, H.]]
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[[Category: Jensen MR]]
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[[Category: Massey, A.]]
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[[Category: Mansell H]]
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[[Category: Matassova, N.]]
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[[Category: Massey A]]
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[[Category: Moore, J D.]]
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[[Category: Matassova N]]
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[[Category: Murray, J.]]
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[[Category: Moore JD]]
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[[Category: Pratt, R.]]
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[[Category: Murray J]]
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[[Category: Ray, S.]]
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[[Category: Pratt R]]
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[[Category: Roughley, S D.]]
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[[Category: Ray S]]
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[[Category: Schoepfer, J.]]
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[[Category: Roughley SD]]
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[[Category: Scriven, K.]]
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[[Category: Schoepfer J]]
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[[Category: Simmonite, H.]]
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[[Category: Scriven K]]
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[[Category: Stokes, S.]]
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[[Category: Simmonite H]]
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[[Category: Surgenor, A.]]
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[[Category: Stokes S]]
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[[Category: Webb, P.]]
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[[Category: Surgenor A]]
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[[Category: Wright, L.]]
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[[Category: Webb P]]
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[[Category: Atpase]]
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[[Category: Wright L]]
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[[Category: Chaperone]]
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[[Category: Fragment]]
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[[Category: Heat shock protein]]
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[[Category: Hsp90]]
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[[Category: Structure-based design.]]
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Current revision

Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization

PDB ID 4fcq

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