4bqj
From Proteopedia
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| - | {{STRUCTURE_4bqj| PDB=4bqj | SCENE= }} | ||
| - | ===structure of HSP90 with an inhibitor bound=== | ||
| - | {{ABSTRACT_PUBMED_24100158}} | ||
| - | == | + | ==structure of HSP90 with an inhibitor bound== |
| - | [[http://www.uniprot.org/uniprot/HS90A_HUMAN HS90A_HUMAN | + | <StructureSection load='4bqj' size='340' side='right'caption='[[4bqj]], [[Resolution|resolution]] 2.00Å' scene=''> |
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4bqj]] 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=4BQJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BQJ 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]] 2Å</td></tr> | ||
| + | <tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=XKL:5-[2,4-DIHYDROXY-6-(4-NITROPHENOXY)PHENYL]-N-ETHYL-1,2-OXAZOLE-3-CARBOXAMIDE'>XKL</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=4bqj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bqj OCA], [https://pdbe.org/4bqj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bqj RCSB], [https://www.ebi.ac.uk/pdbsum/4bqj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bqj 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> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Novel small molecule inhibitors of heat shock protein 90 (Hsp90) were discovered with the help of a fragment based drug discovery approach (FBDD) and subsequent optimization with a combination of structure guided design, parallel synthesis and application of medicinal chemistry principles. These efforts led to the identification of compound 18 (NMS-E973), which displayed significant efficacy in a human ovarian A2780 xenograft tumor model, with a mechanism of action confirmed in vivo by typical modulation of known Hsp90 client proteins, and with a favorable pharmacokinetic and safety profile. | ||
| - | + | Discovery of NMS-E973 as novel, selective and potent inhibitor of heat shock protein 90 (Hsp90).,Brasca MG, Mantegani S, Amboldi N, Bindi S, Caronni D, Casale E, Ceccarelli W, Colombo N, De Ponti A, Donati D, Ermoli A, Fachin G, Felder ER, Ferguson RD, Fiorelli C, Guanci M, Isacchi A, Pesenti E, Polucci P, Riceputi L, Sola F, Visco C, Zuccotto F, Fogliatto G Bioorg Med Chem. 2013 Nov 15;21(22):7047-63. doi: 10.1016/j.bmc.2013.09.018. Epub, 2013 Sep 19. PMID:24100158<ref>PMID:24100158</ref> | |
| - | + | ||
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | < | + | </div> |
| + | <div class="pdbe-citations 4bqj" style="background-color:#fffaf0;"></div> | ||
| + | |||
| + | ==See Also== | ||
| + | *[[Heat Shock Protein structures|Heat Shock Protein structures]] | ||
| + | == References == | ||
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
| - | [[Category: Amboldi | + | [[Category: Large Structures]] |
| - | [[Category: Bindi | + | [[Category: Amboldi N]] |
| - | [[Category: Brasca | + | [[Category: Bindi S]] |
| - | [[Category: Caronni | + | [[Category: Brasca MG]] |
| - | [[Category: Casale | + | [[Category: Caronni D]] |
| - | [[Category: Ceccarelli | + | [[Category: Casale E]] |
| - | [[Category: Colombo | + | [[Category: Ceccarelli W]] |
| - | [[Category: DePonti | + | [[Category: Colombo N]] |
| - | [[Category: Donati | + | [[Category: DePonti A]] |
| - | [[Category: Ermoli | + | [[Category: Donati D]] |
| - | [[Category: Fachin | + | [[Category: Ermoli A]] |
| - | [[Category: Felder | + | [[Category: Fachin G]] |
| - | [[Category: Ferguson | + | [[Category: Felder ER]] |
| - | [[Category: Fiorelli | + | [[Category: Ferguson RD]] |
| - | [[Category: Fogliatto | + | [[Category: Fiorelli C]] |
| - | [[Category: Guanci | + | [[Category: Fogliatto G]] |
| - | [[Category: Isacchi | + | [[Category: Guanci M]] |
| - | [[Category: Mantegani | + | [[Category: Isacchi A]] |
| - | [[Category: Pesenti | + | [[Category: Mantegani S]] |
| - | [[Category: Polucci | + | [[Category: Pesenti E]] |
| - | [[Category: Riceputi | + | [[Category: Polucci P]] |
| - | [[Category: Sola | + | [[Category: Riceputi L]] |
| - | [[Category: Visco | + | [[Category: Sola F]] |
| - | [[Category: Zuccotto | + | [[Category: Visco C]] |
| - | + | [[Category: Zuccotto F]] | |
Current revision
structure of HSP90 with an inhibitor bound
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Categories: Homo sapiens | Large Structures | Amboldi N | Bindi S | Brasca MG | Caronni D | Casale E | Ceccarelli W | Colombo N | DePonti A | Donati D | Ermoli A | Fachin G | Felder ER | Ferguson RD | Fiorelli C | Fogliatto G | Guanci M | Isacchi A | Mantegani S | Pesenti E | Polucci P | Riceputi L | Sola F | Visco C | Zuccotto F
