3W1F

Crystal structure of Human MPS1 catalytic domain in complex with 5-(5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)-2-methylbenzenesulfonamide

Summary for 3W1F

• Entry DOI: 10.2210/pdb3w1f/pdb
• Related: 3VQU
• Descriptor: Dual specificity protein kinase TTK, 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide (3 entities in total)
• Functional Keywords: kinase, serine/threonine-protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 37269.84

Authors

Kusakabe, K.,Ide, N.,Daigo, Y.,Tachibana, Y.,Itoh, T.,Yamamoto, T.,Hashizume, H.,Hato, Y.,Higashino, K.,Okano, Y.,Sato, Y.,Inoue, M.,Iguchi, M.,Kanazawa, T.,Ishioka, Y.,Dohi, K.,Kido, Y.,Sakamoto, S.,Yasuo, K.,Maeda, M.,Higaki, M.,Ueda, K.,Yoshizawa, H.,Baba, Y.,Shiota, T.,Murai, H.,Nakamura, Y. (deposition date: 2012-11-14, release date: 2013-06-26, Last modification date: 2024-03-20)

• Primary citation: Kusakabe, K.,Ide, N.,Daigo, Y.,Tachibana, Y.,Itoh, T.,Yamamoto, T.,Hashizume, H.,Hato, Y.,Higashino, K.,Okano, Y.,Sato, Y.,Inoue, M.,Iguchi, M.,Kanazawa, T.,Ishioka, Y.,Dohi, K.,Kido, Y.,Sakamoto, S.,Yasuo, K.,Maeda, M.,Higaki, M.,Ueda, K.,Yoshizawa, H.,Baba, Y.,Shiota, T.,Murai, H.,Nakamura, Y.; Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125); J.Med.Chem., 56:4343-4356, 2013; PubMed: 23634759; DOI: 10.1021/jm4000215

Experimental method

X-RAY DIFFRACTION (2.7 Å)