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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== | |||
<StructureSection load='4fcq' size='340' side='right'caption='[[4fcq]], [[Resolution|resolution]] 2.15Å' scene=''> | |||
== Structural highlights == | |||
<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> | |||
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.151Å</td></tr> | |||
<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> | |||
<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> | |||
</table> | |||
== 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> | |||
=== | ==See Also== | ||
*[[Heat Shock Protein structures|Heat Shock Protein structures]] | |||
== References == | |||
== | <references/> | ||
__TOC__ | |||
</StructureSection> | |||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Brough | [[Category: Large Structures]] | ||
[[Category: Browne | [[Category: Brough P]] | ||
[[Category: Davies | [[Category: Browne H]] | ||
[[Category: Davis | [[Category: Davies NG]] | ||
[[Category: Drysdale | [[Category: Davis B]] | ||
[[Category: Foloppe | [[Category: Drysdale MJ]] | ||
[[Category: Geoffrey | [[Category: Foloppe N]] | ||
[[Category: Gibbons | [[Category: Geoffrey S]] | ||
[[Category: Hart | [[Category: Gibbons B]] | ||
[[Category: Jensen | [[Category: Hart T]] | ||
[[Category: Mansell | [[Category: Jensen MR]] | ||
[[Category: Massey | [[Category: Mansell H]] | ||
[[Category: Matassova | [[Category: Massey A]] | ||
[[Category: Moore | [[Category: Matassova N]] | ||
[[Category: Murray | [[Category: Moore JD]] | ||
[[Category: Pratt | [[Category: Murray J]] | ||
[[Category: Ray | [[Category: Pratt R]] | ||
[[Category: Roughley | [[Category: Ray S]] | ||
[[Category: Schoepfer | [[Category: Roughley SD]] | ||
[[Category: Scriven | [[Category: Schoepfer J]] | ||
[[Category: Simmonite | [[Category: Scriven K]] | ||
[[Category: Stokes | [[Category: Simmonite H]] | ||
[[Category: Surgenor | [[Category: Stokes S]] | ||
[[Category: Webb | [[Category: Surgenor A]] | ||
[[Category: Wright | [[Category: Webb P]] | ||
[[Category: Wright L]] | |||
Latest revision as of 18:22, 14 March 2024
Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimizationTargeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
Structural highlights
FunctionHS90A_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.[1] [2] See AlsoReferences
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