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: 2022-08-24)
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: 25625617 DOI: 10.1021/jm501599u PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.75 Å)

Structure validation