2BRC
Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.
Summary for 2BRC
| Entry DOI | 10.2210/pdb2brc/pdb |
| Related | 1A4H 1AH6 1AH8 1AM1 1AMW 1BGQ 1HK7 1US7 1USU 1USV 2BRE |
| Descriptor | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL (3 entities in total) |
| Functional Keywords | atp-binding, chaperone, heat shock, inhibitor, multigene family, chaperone-complex |
| Biological source | SACCHAROMYCES CEREVISIAE (BAKER'S YEAST) |
| Cellular location | Cytoplasm : P02829 |
| Total number of polymer chains | 1 |
| Total formula weight | 24560.97 |
| Authors | Roe, S.M.,Pearl, L.H.,Prodromou, C. (deposition date: 2005-05-04, release date: 2005-09-29, Last modification date: 2023-12-13) |
| Primary citation | Cheung, K.M.,Matthews, T.P.,James, K.,Rowlands, M.G.,Boxall, K.J.,Sharp, S.Y.,Maloney, A.,Roe, S.M.,Prodromou, C.,Pearl, L.H.,Aherne, G.W.,McDonald, E.,Workman, P. The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors. Bioorg. Med. Chem. Lett., 15:3338-3343, 2005 Cited by PubMed Abstract: High-throughput screening identified the 3,4-diarylpyrazole CCT018159 as a novel and potent (7.1 microM) inhibitor of Hsp90 ATPase activity. Here, we describe the synthesis of CCT018159 and a number of close analogues together with data on their biochemical properties. Some initial structure-activity relationships are discussed, as well as the crystal structure of CCT018159 bound to Hsp90. PubMed: 15955698DOI: 10.1016/j.bmcl.2005.05.046 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.6 Å) |
Structure validation
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