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 Cited by PubMed: 23634759DOI: 10.1021/jm4000215 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.7 Å) |
Structure validation
Download full validation report