2bsm: Difference between revisions

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{{Seed}}
[[Image:2bsm.png|left|200px]]


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==Novel, potent small molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design==
The line below this paragraph, containing "STRUCTURE_2bsm", creates the "Structure Box" on the page.
<StructureSection load='2bsm' size='340' side='right'caption='[[2bsm]], [[Resolution|resolution]] 2.05&Aring;' scene=''>
You may change the PDB parameter (which sets the PDB file loaded into the applet)
== Structural highlights ==
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
<table><tr><td colspan='2'>[[2bsm]] 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=2BSM OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2BSM FirstGlance]. <br>
or leave the SCENE parameter empty for the default display.
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.05&#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=BSM:5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE'>BSM</scene></td></tr>
{{STRUCTURE_2bsm|  PDB=2bsm  |  SCENE=  }}
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2bsm FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bsm OCA], [https://pdbe.org/2bsm PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2bsm RCSB], [https://www.ebi.ac.uk/pdbsum/2bsm PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2bsm 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>
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/bs/2bsm_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2bsm ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The crystal structure of a previously reported screening hit 1 (CCT018159) bound to the N terminal domain of molecular chaperone Hsp90 has been used to design 5-amide analogues. These exhibit enhanced potency against the target in binding and functional assays with accompanying appropriate cellular pharmacodynamic changes. Compound 11 (VER-49009) compares favorably with the clinically evaluated 17-AAG.


===NOVEL, POTENT SMALL MOLECULE INHIBITORS OF THE MOLECULAR CHAPERONE HSP90 DISCOVERED THROUGH STRUCTURE-BASED DESIGN===
Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.,Dymock BW, Barril X, Brough PA, Cansfield JE, Massey A, McDonald E, Hubbard RE, Surgenor A, Roughley SD, Webb P, Workman P, Wright L, Drysdale MJ J Med Chem. 2005 Jun 30;48(13):4212-5. PMID:15974572<ref>PMID:15974572</ref>


From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 2bsm" style="background-color:#fffaf0;"></div>


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==See Also==
The line below this paragraph, {{ABSTRACT_PUBMED_15974572}}, adds the Publication Abstract to the page
*[[Heat Shock Protein structures|Heat Shock Protein structures]]
(as it appears on PubMed at http://www.pubmed.gov), where 15974572 is the PubMed ID number.
== References ==
-->
<references/>
{{ABSTRACT_PUBMED_15974572}}
__TOC__
 
</StructureSection>
==About this Structure==
2BSM is a 1 chain structure of 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=2BSM OCA].
 
==Reference==
<ref group="xtra">PMID:15974572</ref><references group="xtra"/>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Barril, X.]]
[[Category: Large Structures]]
[[Category: Brough, P A.]]
[[Category: Barril X]]
[[Category: Cansfield, J E.]]
[[Category: Brough PA]]
[[Category: Drysdale, M J.]]
[[Category: Cansfield JE]]
[[Category: Dymock, B W.]]
[[Category: Drysdale MJ]]
[[Category: Hubbard, R E.]]
[[Category: Dymock BW]]
[[Category: Massey, A.]]
[[Category: Hubbard RE]]
[[Category: Mcdonald, E.]]
[[Category: Massey A]]
[[Category: Roughley, S D.]]
[[Category: McDonald E]]
[[Category: Surgenor, A.]]
[[Category: Roughley SD]]
[[Category: Webb, P.]]
[[Category: Surgenor A]]
[[Category: Workman, P.]]
[[Category: Webb P]]
[[Category: Wright, L.]]
[[Category: Workman P]]
[[Category: Atp-binding]]
[[Category: Wright L]]
[[Category: Atpase]]
[[Category: Chaperone]]
[[Category: Heat shock]]
[[Category: Hsp90]]
[[Category: Pu3]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Feb 17 15:57:02 2009''
Retrieved from "https://proteopedia.org/2bsm"