2BRC

Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.

2BRC の概要

• エントリーDOI: 10.2210/pdb2brc/pdb
• 関連するPDBエントリー: 1A4H 1AH6 1AH8 1AM1 1AMW 1BGQ 1HK7 1US7 1USU 1USV 2BRE
• 分子名称: 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)
• 機能のキーワード: atp-binding, chaperone, heat shock, inhibitor, multigene family, chaperone-complex
• 由来する生物種: SACCHAROMYCES CEREVISIAE (BAKER'S YEAST)
• 細胞内の位置: Cytoplasm : P02829
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24560.97

構造登録者

Roe, S.M.,Pearl, L.H.,Prodromou, C. (登録日: 2005-05-04, 公開日: 2005-09-29, 最終更新日: 2023-12-13)

主引用文献

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

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: 15955698
DOI: 10.1016/j.bmcl.2005.05.046

実験手法

X-RAY DIFFRACTION (1.6 Å)