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TitleTreating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 8025-8042, Year 2020
Publish dateDec 6, 2019 (structure data deposition date)
AuthorsSchulze, V.K. / Klar, U. / Kosemund, D. / Wengner, A.M. / Siemeister, G. / Stockigt, D. / Neuhaus, R. / Lienau, P. / Bader, B. / Prechtl, S. ...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.
External linksJ. Med. Chem. / PubMed:32338514
MethodsX-ray diffraction
Resolution2.3 - 2.65 Å
Structure data

PDB-6tn9:
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-6tnb:
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

PDB-6tnc:
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 46
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-6tnd:
X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79
Method: X-RAY DIFFRACTION / Resolution: 2.58 Å

Chemicals

ChemComp-NN5:
[4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone

ChemComp-8QW:
(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

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-O23:
N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide

ChemComp-8RH:
BAY 1217389

Source
  • homo sapiens (human)
KeywordsCELL CYCLE / Kinase / Mps1

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