6TN9

X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16

6TN9 の概要

• エントリーDOI: 10.2210/pdb6tn9/pdb
• 分子名称: Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone (2 entities in total)
• 機能のキーワード: kinase, mps1, cell cycle
• 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: 34214.26

構造登録者

Marquardt, T.,Holton, S.J.,Schulze, V.K.,Klar, U.,Kosemund, D.,Siemeister, G.,Bader, B.,Prechtl, S.,Briem, H.,Schirok, H.,Bohlmann, R.,Nguyen, D.,Fernandez-Montalvan, A.,Boemer, U.,Eberspaecher, U.,Brands, M.,Nussbaum, F.,Koppitz, M. (登録日: 2019-12-06, 公開日: 2020-05-13, 最終更新日: 2024-05-01)

• 主引用文献: Schulze, V.K.,Klar, U.,Kosemund, D.,Wengner, A.M.,Siemeister, G.,Stockigt, D.,Neuhaus, R.,Lienau, P.,Bader, B.,Prechtl, S.,Holton, S.J.,Briem, H.,Marquardt, T.,Schirok, H.,Jautelat, R.,Bohlmann, R.,Nguyen, D.,Fernandez-Montalvan, A.E.,Bomer, U.,Eberspaecher, U.,Bruning, M.,Dohr, O.,Raschke, M.,Kreft, B.,Mumberg, D.,Ziegelbauer, K.,Brands, M.,von Nussbaum, F.,Koppitz, M.; Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.; J.Med.Chem., 63:8025-8042, 2020; PubMed: 32338514; DOI: 10.1021/acs.jmedchem.9b02035

実験手法

X-RAY DIFFRACTION (2.6 Å)