3WYY

CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide

Summary for 3WYY

Entry DOI	10.2210/pdb3wyy/pdb
Related	3WYX
Descriptor	Dual specificity protein kinase TTK, (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide (2 entities in total)
Functional Keywords	kinase, serine/threonine-protein kinase, transferase, inhibitor complex, atp binding
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	37400.01
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.,Murai, H.,Nakamura, Y. (deposition date: 2014-09-10, release date: 2015-04-08, Last modification date: 2022-08-24)
Primary citation	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.,Murai, H.,Nakamura, Y. A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity. Bioorg.Med.Chem., 23:2247-2260, 2015 Cited by PubMed: 25801152 DOI: 10.1016/j.bmc.2015.02.042 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.05 Å)

Structure validation