First time at Proteopedia? Click on the green links: they change the 3D image. Click and drag the molecules. Proteopedia is a 3D, interactive encyclopedia of proteins, RNA, DNA and other molecules. With a free user account, you can edit pages in Proteopedia. Visit the Main Page to learn more.
3eko
From Proteopedia
| 3eko, resolution 1.55Å () | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||||
| Gene: | HSP90AA1, HSP90A, HSPC1, HSPCA (Homo sapiens) | ||||||||
| Related: | 3ekr
| ||||||||
| |||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Contents |
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone
Information from X-ray crystal structures were used to optimize the potency of a HTS hit in a Hsp90 competitive binding assay. A class of novel and potent small molecule Hsp90 inhibitors were thereby identified. Enantio-pure compounds 31 and 33 were potent in PGA-based competitive binding assay and inhibited proliferation of various human cancer cell lines in vitro, with IC(50) values averaging 20 nM.
Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone., Kung PP, Funk L, Meng J, Collins M, Zhou JZ, Johnson MC, Ekker A, Wang J, Mehta P, Yin MJ, Rodgers C, Davies JF 2nd, Bayman E, Smeal T, Maegley KA, Gehring MR, Bioorg Med Chem Lett. 2008 Dec 1;18(23):6273-8. Epub 2008 Sep 26. PMID:18929486
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
3eko is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.
See Also
Reference
- Kung PP, Funk L, Meng J, Collins M, Zhou JZ, Johnson MC, Ekker A, Wang J, Mehta P, Yin MJ, Rodgers C, Davies JF 2nd, Bayman E, Smeal T, Maegley KA, Gehring MR. Dihydroxylphenyl amides as inhibitors of the Hsp90 molecular chaperone. Bioorg Med Chem Lett. 2008 Dec 1;18(23):6273-8. Epub 2008 Sep 26. PMID:18929486 doi:S0960-894X(08)01149-9
