3WYX

CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile

3WYX の概要

• エントリーDOI: 10.2210/pdb3wyx/pdb
• 関連するPDBエントリー: 3WYY
• 分子名称: Dual specificity protein kinase TTK, IODIDE ION, 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, ... (4 entities in total)
• 機能のキーワード: kinase, atp binding, transferase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37412.77

構造登録者

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. (登録日: 2014-09-09, 公開日: 2015-04-08, 最終更新日: 2024-05-29)

• 主引用文献: 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; PubMed: 25801152; DOI: 10.1016/j.bmc.2015.02.042

実験手法

X-RAY DIFFRACTION (2.9 Å)