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.
3ft5
From Proteopedia
| 3ft5, resolution 1.90Å () | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Ligands: | |||||||||
| Gene: | HSP90AA1, HSP90A, HSPC1, HSPCA (Homo sapiens) | ||||||||
| Related: | 3ft8 | ||||||||
| |||||||||
| |||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Contents |
Structure of HSP90 bound with a novel fragment
Heat shock protein 90 (Hsp90) plays a key role in stress response and protection of the cell against the effects of mutation. Herein we report the identification of an Hsp90 inhibitor identified by fragment screening using a high-concentration biochemical assay, as well as its optimisation by in silico searching coupled with a structure-based drug design (SBDD) approach.
Fragment-based identification of Hsp90 inhibitors., Barker JJ, Barker O, Boggio R, Chauhan V, Cheng RK, Corden V, Courtney SM, Edwards N, Falque VM, Fusar F, Gardiner M, Hamelin EM, Hesterkamp T, Ichihara O, Jones RS, Mather O, Mercurio C, Minucci S, Montalbetti CA, Muller A, Patel D, Phillips BG, Varasi M, Whittaker M, Winkler D, Yarnold CJ, ChemMedChem. 2009 Jun;4(6):963-6. PMID:19301319
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
3ft5 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA.
See Also
Reference
- Barker JJ, Barker O, Boggio R, Chauhan V, Cheng RK, Corden V, Courtney SM, Edwards N, Falque VM, Fusar F, Gardiner M, Hamelin EM, Hesterkamp T, Ichihara O, Jones RS, Mather O, Mercurio C, Minucci S, Montalbetti CA, Muller A, Patel D, Phillips BG, Varasi M, Whittaker M, Winkler D, Yarnold CJ. Fragment-based identification of Hsp90 inhibitors. ChemMedChem. 2009 Jun;4(6):963-6. PMID:19301319 doi:10.1002/cmdc.200900011
