3VW6

Crystal structure of human apoptosis signal-regulating kinase 1 (ASK1) with imidazopyridine inhibitor

3VW6 の概要

• エントリーDOI: 10.2210/pdb3vw6/pdb
• 分子名称: Mitogen-activated protein kinase kinase kinase 5, 4-tert-butyl-N-[6-(1H-imidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]benzamide (3 entities in total)
• 機能のキーワード: transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: Q99683
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 61314.07

構造登録者

Terao, Y.,Suzuki, H.,Yoshikawa, M.,Yashiro, H.,Takekawa, S.,Fujitani, Y.,Okada, K.,Inoue, Y.,Yamamoto, Y.,Nakagawa, H.,Yao, S.,Kawamoto, T.,Uchikawa, O. (登録日: 2012-08-06, 公開日: 2012-10-31, 最終更新日: 2024-03-20)

主引用文献

Terao, Y.,Suzuki, H.,Yoshikawa, M.,Yashiro, H.,Takekawa, S.,Fujitani, Y.,Okada, K.,Inoue, Y.,Yamamoto, Y.,Nakagawa, H.,Yao, S.,Kawamoto, T.,Uchikawa, O.
Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors.
Bioorg. Med. Chem. Lett., 22:7326-7329, 2012

PubMed Abstract: Imidazo[1,2-a]pyridine derivatives were designed, synthesized, and evaluated as inhibitors of the apoptosis signal-regulating kinase 1 (ASK1). These were based on a benzothiazole derivative that was discovered from high-throughput screening of our compound library. As a result, we identified potent, selective, and orally bioavailable ASK1 inhibitors for wide range of therapeutic targets.

PubMed: 23147077
DOI: 10.1016/j.bmcl.2012.10.084

実験手法

X-RAY DIFFRACTION (2.4 Å)