3WZJ
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
Summary for 3WZJ
Entry DOI | 10.2210/pdb3wzj/pdb |
Related | 3wzk |
Descriptor | Dual specificity protein kinase TTK, 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide (3 entities in total) |
Functional Keywords | transferase, atp binding, phosphorylation |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 37346.99 |
Authors | Kusakabe, K.,Ide, N.,Daigo, Y.,Itoh, T.,Yamamoto, T.,Kojima, E.,Mitsuoka, Y.,Tadano, G.,Tagashira, S.,Higashino, K.,Okano, Y.,Sato, Y.,Inoue, M.,Iguchi, M.,Kanazawa, T.,Ishioka, Y.,Dohi, K.,Kido, Y.,Sakamoto, S.,Ando, S.,Maeda, M.,Higaki, M.,Yoshizawa, H.,Mura, H.,Nakamura, Y. (deposition date: 2014-09-29, release date: 2015-02-11, Last modification date: 2024-05-29) |
Primary citation | Kusakabe, K.,Ide, N.,Daigo, Y.,Itoh, T.,Yamamoto, T.,Hashizume, H.,Nozu, K.,Yoshida, H.,Tadano, G.,Tagashira, S.,Higashino, K.,Okano, Y.,Sato, Y.,Inoue, M.,Iguchi, M.,Kanazawa, T.,Ishioka, Y.,Dohi, K.,Kido, Y.,Sakamoto, S.,Ando, S.,Maeda, M.,Higaki, M.,Baba, Y.,Nakamura, Y. Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. J.Med.Chem., 58:1760-1775, 2015 Cited by PubMed: 25625617DOI: 10.1021/jm501599u PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.75 Å) |
Structure validation
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