3FT5

Structure of HSP90 bound with a novel fragment

Summary for 3FT5

• Entry DOI: 10.2210/pdb3ft5/pdb
• Related: 3FT8
• Descriptor: Heat shock protein HSP 90-alpha, 4-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine (3 entities in total)
• Functional Keywords: hsp90 n-terminal nucleotide binding domain, alternative splicing, atp-binding, chaperone, cytoplasm, nucleotide-binding, phosphoprotein, stress response
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: P07900
• Total number of polymer chains: 1
• Total formula weight: 28140.59

Authors

Barker, J.B.,Mather, O.,Cheng, R.K.Y.,Palan, S.,Felicetti, B. (deposition date: 2009-01-12, release date: 2009-05-05, Last modification date: 2024-02-21)

Primary citation

Barker, J.J.,Barker, O.,Boggio, R.,Chauhan, V.,Cheng, R.K.,Corden, V.,Courtney, S.M.,Edwards, N.,Falque, V.M.,Fusar, F.,Gardiner, M.,Hamelin, E.M.,Hesterkamp, T.,Ichihara, O.,Jones, R.S.,Mather, O.,Mercurio, C.,Minucci, S.,Montalbetti, C.A.,Muller, A.,Patel, D.,Phillips, B.G.,Varasi, M.,Whittaker, M.,Winkler, D.,Yarnold, C.J.
Fragment-based Identification of Hsp90 Inhibitors.
Chemmedchem, 4:963-966, 2009

PubMed Abstract: 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.

PubMed: 19301319
DOI: 10.1002/cmdc.200900011

Experimental method

X-RAY DIFFRACTION (1.9 Å)