Summary for 4FCQ
| Related | 4FCP 4FCR |
|---|---|
| Descriptor | Heat shock protein HSP 90-alpha, 4-(2,4-dimethylphenyl)-2-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (3 entities in total) |
| Functional Keywords | heat shock protein, hsp90, atpase, fragments, structure-based design., chaperone |
| Biological source | Homo sapiens (human) |
| Cellular location | Cytoplasm P07900 |
| Total number of polymer chains | 1 |
| Total molecular weight | 26896.15 |
| Authors | Davies, N.G.,Browne, H.,Davis, B.,Foloppe, N.,Geoffrey, S.,Gibbons, B.,Hart, T.,Drysdale, M.J.,Mansell, H.,Massey, A.,Matassova, N.,Moore, J.D.,Murray, J.,Pratt, R.,Ray, S.,Roughley, S.D.,Jensen, M.R.,Schoepfer, J.,Scriven, K.,Simmonite, H.,Stokes, S.,Surgenor, A.,Webb, P.,Wright, L.,Brough, P. (deposition date: 2012-05-25, release date: 2012-10-24, Last modification date: 2012-11-07) |
| Primary citation | Davies, N.G.,Browne, H.,Davis, B.,Drysdale, M.J.,Foloppe, N.,Geoffrey, S.,Gibbons, B.,Hart, T.,Hubbard, R.,Jensen, M.R.,Mansell, H.,Massey, A.,Matassova, N.,Moore, J.D.,Murray, J.,Pratt, R.,Ray, S.,Robertson, A.,Roughley, S.D.,Schoepfer, J.,Scriven, K.,Simmonite, H.,Stokes, S.,Surgenor, A.,Webb, P.,Wood, M.,Wright, L.,Brough, P. Targeting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. Bioorg.Med.Chem., 20:6770-6789, 2012 PubMed: 23018093 (PDB entries with the same primary citation) DOI: 10.1016/j.bmc.2012.08.050  Import into Mendeley |
| Experimental method | X-RAY DIFFRACTION (2.151 Å) |
