6TNB

X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41

Summary for 6TNB

• Entry DOI: 10.2210/pdb6tnb/pdb
• Descriptor: Dual specificity protein kinase TTK, (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: kinase, mps1, cell cycle
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34445.80

Authors

Holton, S.J.,Schulze, V.K.,Klar, U.,Kosemund, D.,Siemeister, G.,Bader, B.,Prechtl, S.,Briem, H.,Marquardt, T.,Schirok, H.,Bohlmann, R.,Nguyen, D.,Fernandez-Montalvan, A.,Boemer, U.,Eberspaecher, U.,Brands, M.,Nussbaum, F.,Koppitz, M. (deposition date: 2019-12-06, release date: 2020-05-13, Last modification date: 2020-08-26)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.65 Å)