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==HSP90 INHIBITORS AND DRUGS FROM FRAGMENT AND VIRTUAL SCREENING==
==HSP90 inhibitors and drugs from fragment and virtual screening==
<StructureSection load='2yej' size='340' side='right' caption='[[2yej]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
<StructureSection load='2yej' size='340' side='right'caption='[[2yej]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[2yej]] is a 1 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=2YEJ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2YEJ FirstGlance]. <br>
<table><tr><td colspan='2'>[[2yej]] 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=2YEJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2YEJ FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=XQK:METHYL+5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE'>XQK</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]] 2.2&#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]], [[2bsm|2bsm]], [[1osf|1osf]], [[2wi3|2wi3]], [[1uy8|1uy8]], [[2bug|2bug]], [[2wi4|2wi4]], [[2uwd|2uwd]], [[2xhx|2xhx]], [[2wi7|2wi7]], [[2bt0|2bt0]], [[1yer|1yer]], [[2xdu|2xdu]], [[1uyg|1uyg]], [[2ccu|2ccu]], [[2bz5|2bz5]], [[2xds|2xds]], [[2xdx|2xdx]], [[2ccs|2ccs]], [[2xk2|2xk2]], [[1yc3|1yc3]], [[1uyi|1uyi]], [[2xjj|2xjj]], [[1uyf|1uyf]], [[1uyd|1uyd]], [[2byi|2byi]], [[2xdl|2xdl]], [[2wi2|2wi2]], [[2vci|2vci]], [[1uy6|1uy6]], [[2wi1|2wi1]], [[2vcj|2vcj]], [[1yc4|1yc4]], [[2xjx|2xjx]], [[2fwz|2fwz]], [[2xdk|2xdk]], [[2c2l|2c2l]], [[1uyk|1uyk]], [[2xjg|2xjg]], [[1uyh|1uyh]], [[2cct|2cct]], [[2fwy|2fwy]], [[1uye|1uye]], [[1uyl|1uyl]], [[2xab|2xab]], [[2wi6|2wi6]], [[1yc1|1yc1]], [[1uy7|1uy7]], [[2xhr|2xhr]], [[1uyc|1uyc]], [[2xht|2xht]], [[1yet|1yet]], [[2jjc|2jjc]], [[2byh|2byh]], [[2wi5|2wi5]], [[2ye2|2ye2]], [[2ye3|2ye3]], [[2ye4|2ye4]], [[2ye5|2ye5]], [[2ye6|2ye6]], [[2ye7|2ye7]], [[2ye8|2ye8]], [[2ye9|2ye9]], [[2yea|2yea]], [[2yeb|2yeb]], [[2yec|2yec]], [[2yed|2yed]], [[2yee|2yee]], [[2yef|2yef]], [[2yeg|2yeg]], [[2yeh|2yeh]], [[2yei|2yei]]</td></tr>
<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=XQK:METHYL+5-ISOXAZOL-5-YL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLATE'>XQK</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=2yej FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yej OCA], [http://pdbe.org/2yej PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=2yej RCSB], [http://www.ebi.ac.uk/pdbsum/2yej PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=2yej ProSAT]</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=2yej FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2yej OCA], [https://pdbe.org/2yej PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2yej RCSB], [https://www.ebi.ac.uk/pdbsum/2yej PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2yej 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>  


==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: Baker, L M]]
[[Category: Large Structures]]
[[Category: Hubbard, R E]]
[[Category: Baker LM]]
[[Category: Roughley, S D]]
[[Category: Hubbard RE]]
[[Category: Chaperone]]
[[Category: Roughley SD]]
[[Category: Stress response]]

Latest revision as of 13:51, 20 December 2023

HSP90 inhibitors and drugs from fragment and virtual screeningHSP90 inhibitors and drugs from fragment and virtual screening

Structural highlights

2yej is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.2Å
Ligands:, ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

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.[1] [2]

See Also

References

  1. ↑ Martinez-Ruiz A, Villanueva L, Gonzalez de Orduna C, Lopez-Ferrer D, Higueras MA, Tarin C, Rodriguez-Crespo I, Vazquez J, Lamas S. S-nitrosylation of Hsp90 promotes the inhibition of its ATPase and endothelial nitric oxide synthase regulatory activities. Proc Natl Acad Sci U S A. 2005 Jun 14;102(24):8525-30. Epub 2005 Jun 3. PMID:15937123 doi:10.1073/pnas.0407294102
  2. ↑ Forsythe HL, Jarvis JL, Turner JW, Elmore LW, Holt SE. Stable association of hsp90 and p23, but Not hsp70, with active human telomerase. J Biol Chem. 2001 May 11;276(19):15571-4. Epub 2001 Mar 23. PMID:11274138 doi:10.1074/jbc.C100055200

2yej, resolution 2.20Å

Drag the structure with the mouse to rotate

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