4FCP
Targetting conserved water molecules: Design of 4-aryl-5-cyanopyrrolo [2,3-d] pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization
Summary for 4FCP
Entry DOI | 10.2210/pdb4fcp/pdb |
Related | 4FCQ 4FCR |
Descriptor | Heat shock protein HSP 90-alpha, N,N-dimethyl-7H-purin-6-amine (3 entities in total) |
Functional Keywords | hsp90, heat shock protein, atpase, structure-based ligand design, fragment structural studies, chaperone |
Biological source | Homo sapiens (human) |
Cellular location | Cytoplasm: P07900 |
Total number of polymer chains | 2 |
Total formula weight | 53529.91 |
Authors | Davies, N.G.M.,Browne, H.,Davies, B.,Foloppe, N.,Geoffrey, S.,Gibbons, B.,Hart, T.,Drysdale, M.,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: 2023-09-13) |
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 Cited by PubMed: 23018093DOI: 10.1016/j.bmc.2012.08.050 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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