3d0b: Difference between revisions

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OCA

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 ==Crystal Structure of Benzamide Tetrahydro-4H-carbazol-4-one bound to Hsp90==
-<StructureSection load='3d0b' size='340' side='right' caption='[[3d0b]], [[Resolution|resolution]] 1.74&Aring;' scene=''>
+<StructureSection load='3d0b' size='340' side='right'caption='[[3d0b]], [[Resolution|resolution]] 1.74&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3d0b]] 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=3D0B OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3D0B FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3d0b]] 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=3D0B OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3D0B FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SNX:2-[(2-METHOXYETHYL)AMINO]-4-(4-OXO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)BENZAMIDE'>SNX</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]] 1.74&#8491;</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=3d0b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3d0b OCA], [http://pdbe.org/3d0b PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3d0b RCSB], [http://www.ebi.ac.uk/pdbsum/3d0b PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3d0b ProSAT]</span></td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=SNX:2-[(2-METHOXYETHYL)AMINO]-4-(4-OXO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)BENZAMIDE'>SNX</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=3d0b FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3d0b OCA], [https://pdbe.org/3d0b PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3d0b RCSB], [https://www.ebi.ac.uk/pdbsum/3d0b PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3d0b ProSAT]</span></td></tr>
 </table>
 == 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>
 == Evolutionary Conservation ==
 [[Image:Consurf_key_small.gif|200px|right]]
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 </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=3d0b ConSurf].
 <div style="clear:both"></div>
-<div style="background-color:#fffaf0;">
-== Publication Abstract from PubMed ==
-Hsp90 maintains the conformational stability of multiple proteins implicated in oncogenesis and has emerged as a target for chemotherapy. We report here the discovery of a novel small molecule scaffold that inhibits Hsp90. X-ray data show that the scaffold binds competitively at the ATP site on Hsp90. Cellular proliferation and client assays demonstrate that members of the series are able to inhibit Hsp90 at nanomolar concentrations.
-Discovery of benzamide tetrahydro-4H-carbazol-4-ones as novel small molecule inhibitors of Hsp90.,Barta TE, Veal JM, Rice JW, Partridge JM, Fadden RP, Ma W, Jenks M, Geng L, Hanson GJ, Huang KH, Barabasz AF, Foley BE, Otto J, Hall SE Bioorg Med Chem Lett. 2008 Jun 15;18(12):3517-21. Epub 2008 May 9. PMID:18511277<ref>PMID:18511277</ref>
-From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
-</div>
-<div class="pdbe-citations 3d0b" style="background-color:#fffaf0;"></div>
 ==See Also==
-*[[Heat Shock Proteins|Heat Shock Proteins]]
+*[[Heat Shock Protein structures|Heat Shock Protein structures]]
 == References ==
 <references/>
@@ Line 36: / Line 28: @@
 </StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Barta, T E]]
+[[Category: Large Structures]]
-[[Category: Hall, S H]]
+[[Category: Barta TE]]
-[[Category: Huang, K H]]
+[[Category: Hall SH]]
-[[Category: Veal, J M]]
+[[Category: Huang KH]]
-[[Category: Alternative splicing]]
+[[Category: Veal JM]]
-[[Category: Atp-binding]]
-[[Category: Chaperone]]
-[[Category: Cytoplasm]]
-[[Category: Heat shock protein 90]]
-[[Category: Hsp90]]
-[[Category: Nucleotide-binding]]
-[[Category: Phosphoprotein]]
-[[Category: Stress response]]