5ZR3

Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)-3-methylbenzamide

Summary for 5ZR3

• Entry DOI: 10.2210/pdb5zr3/pdb
• Descriptor: Heat shock protein HSP 90-alpha, 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide (3 entities in total)
• Functional Keywords: inhibitor, complex, chaperone
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 108721.69

Authors

Uno, T.,Chong, K.T.,Suzuki, T. (deposition date: 2018-04-23, release date: 2019-01-02, Last modification date: 2023-11-22)

• Primary citation: Uno, T.,Kawai, Y.,Yamashita, S.,Oshiumi, H.,Yoshimura, C.,Mizutani, T.,Suzuki, T.,Chong, K.T.,Shigeno, K.,Ohkubo, M.,Kodama, Y.,Muraoka, H.,Funabashi, K.,Takahashi, K.,Ohkubo, S.,Kitade, M.; Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.; J. Med. Chem., 62:531-551, 2019; PubMed: 30525599; DOI: 10.1021/acs.jmedchem.8b01085

Experimental method

X-RAY DIFFRACTION (2.5 Å)