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TitleDevelopment of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 3173-3192, Year 2022
Publish dateFeb 13, 2021 (structure data deposition date)
AuthorsM Serafim, R.A. / da Silva Santiago, A. / Schwalm, M.P. / Hu, Z. / Dos Reis, C.V. / Takarada, J.E. / Mezzomo, P. / Massirer, K.B. / Kudolo, M. / Gerstenecker, S. ...M Serafim, R.A. / da Silva Santiago, A. / Schwalm, M.P. / Hu, Z. / Dos Reis, C.V. / Takarada, J.E. / Mezzomo, P. / Massirer, K.B. / Kudolo, M. / Gerstenecker, S. / Chaikuad, A. / Zender, L. / Knapp, S. / Laufer, S. / Counago, R.M. / Gehringer, M.
External linksJ. Med. Chem. / PubMed:35167750
MethodsX-ray diffraction
Resolution1.95 Å
Structure data

PDB-7lqd:
Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

Chemicals

ChemComp-YB4:
~{N}-(2,6-diethylphenyl)-2-[[4-(4-methylpiperazin-1-yl)-2-(propanoylamino)phenyl]amino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-TOE:
2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Protein kinase / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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