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Title | Combining Hit Identification Strategies: Fragment- Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-D]Pyrimidine Inhibitors of the Hsp90 Molecular Chaperone. |
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Journal, issue, pages | J. Med. Chem., Vol. 52, Page 4794-, Year 2009 |
Publish date | May 8, 2009 (structure data deposition date) |
Authors | Brough, P.A. / Barril, X. / Borgognoni, J. / Chene, P. / Davies, N.G.M. / Davis, B. / Drysdale, M.J. / Dymock, B. / Eccles, S.A. / Garcia-Echeverria, C. ...Brough, P.A. / Barril, X. / Borgognoni, J. / Chene, P. / Davies, N.G.M. / Davis, B. / Drysdale, M.J. / Dymock, B. / Eccles, S.A. / Garcia-Echeverria, C. / Fromont, C. / Hayes, A. / Hubbard, R.E. / Jordan, A.M. / Jensen, M.R. / Massey, A. / Merrett, A. / Padfield, A. / Parsons, R. / Radimerski, T. / Raynaud, F.I. / Robertson, A. / Roughley, S.D. / Schoepfer, J. / Simmonite, H. / Sharp, S.Y. / Surgenor, A. / Valenti, M. / Walls, S. / Webb, P. / Wood, M. / Workman, P. / Wright, L.M. |
External links | J. Med. Chem. / PubMed:19610616 |
Methods | X-ray diffraction |
Resolution | 1.9 - 2.5 Å |
Structure data | PDB-2wi1: PDB-2wi2: PDB-2wi3: PDB-2wi4: PDB-2wi5: PDB-2wi6: PDB-2wi7: |
Chemicals | ChemComp-MG: ChemComp-ZZ2: ChemComp-HOH: ChemComp-DMS: ChemComp-ZZ3: ChemComp-ZZ4: ChemComp-ZZ5: ChemComp-ZZ6: ChemComp-2KL: |
Source |
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Keywords | CHAPERONE / PU3 / HSP90 / ATPASE / HEAT SHOCK / STRESS RESPONSE / NUCLEOTIDE-BINDING / ATP-BINDING / PHOSPHOPROTEIN / PHOSPHORYLATION |