4fcp: Difference between revisions

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==Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization==
==Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization==
<StructureSection load='4fcp' size='340' side='right' caption='[[4fcp]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
<StructureSection load='4fcp' size='340' side='right'caption='[[4fcp]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4fcp]] 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=4FCP OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4FCP FirstGlance]. <br>
<table><tr><td colspan='2'>[[4fcp]] 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=4FCP OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4FCP FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=42C:N,N-DIMETHYL-7H-PURIN-6-AMINE'>42C</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=42C:N,N-DIMETHYL-7H-PURIN-6-AMINE'>42C</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4fcq|4fcq]], [[4fcr|4fcr]]</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=4fcp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fcp OCA], [https://pdbe.org/4fcp PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4fcp RCSB], [https://www.ebi.ac.uk/pdbsum/4fcp PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4fcp ProSAT]</span></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HSP90AA1, HSP90A, 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=4fcp FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4fcp OCA], [http://pdbe.org/4fcp PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4fcp RCSB], [http://www.ebi.ac.uk/pdbsum/4fcp PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4fcp 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 ==
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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: Brough, P]]
[[Category: Large Structures]]
[[Category: Browne, H]]
[[Category: Brough P]]
[[Category: Davies, B]]
[[Category: Browne H]]
[[Category: Davies, N G.M]]
[[Category: Davies B]]
[[Category: Drysdale, M]]
[[Category: Davies NGM]]
[[Category: Foloppe, N]]
[[Category: Drysdale M]]
[[Category: Geoffrey, S]]
[[Category: Foloppe N]]
[[Category: Gibbons, B]]
[[Category: Geoffrey S]]
[[Category: Hart, T]]
[[Category: Gibbons B]]
[[Category: Jensen, M R]]
[[Category: Hart T]]
[[Category: Mansell, H]]
[[Category: Jensen MR]]
[[Category: Massey, A]]
[[Category: Mansell H]]
[[Category: Matassova, N]]
[[Category: Massey A]]
[[Category: Moore, J D]]
[[Category: Matassova N]]
[[Category: Murray, J]]
[[Category: Moore JD]]
[[Category: Pratt, R]]
[[Category: Murray J]]
[[Category: Ray, S]]
[[Category: Pratt R]]
[[Category: Roughley, S D]]
[[Category: Ray S]]
[[Category: Schoepfer, J]]
[[Category: Roughley SD]]
[[Category: Scriven, K]]
[[Category: Schoepfer J]]
[[Category: Simmonite, H]]
[[Category: Scriven K]]
[[Category: Stokes, S]]
[[Category: Simmonite H]]
[[Category: Surgenor, A]]
[[Category: Stokes S]]
[[Category: Webb, P]]
[[Category: Surgenor A]]
[[Category: Wright, L]]
[[Category: Webb P]]
[[Category: Atpase]]
[[Category: Wright L]]
[[Category: Chaperone]]
[[Category: Fragment structural study]]
[[Category: Heat shock protein]]
[[Category: Hsp90]]
[[Category: Structure-based ligand design]]

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