3ft8

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3ft8, resolution 2.00Å ()
Ligands:
Gene: HSP90AA1, HSP90A, HSPC1, HSPCA (Homo sapiens)
Related: 3ft5
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Structure of HSP90 bound with a noval fragment.

Publication Abstract from PubMed

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

3ft8 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

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