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Structure paper

TitleUnderstanding inhibitor resistance in Mps1 kinase through novel biophysical assays and structures.
Journal, issue, pagesJ. Biol. Chem., Vol. 292, Page 14496-14504, Year 2017
Publish dateDec 22, 2016 (structure data deposition date)
AuthorsHiruma, Y. / Koch, A. / Hazraty, N. / Tsakou, F. / Medema, R.H. / Joosten, R.P. / Perrakis, A.
External linksJ. Biol. Chem. / PubMed:28726638
MethodsX-ray diffraction
Resolution2.2 - 3.2 Å
Structure data

PDB-5mrb:
Crystal structure of human Mps1 (TTK) in complex with Cpd-5
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5ntt:
Crystal structure of human Mps1 (TTK) C604Y mutant in complex with NMS-P715
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-5o91:
Crystal structure of human Mps1 (TTK) C604W mutant in complex with Cpd-5
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-C5N:
~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-SVE:
N-(2,6-DIETHYLPHENYL)-1-METHYL-8-({4-[(1-METHYLPIPERIDIN-4-YL)CARBAMOYL]-2-(TRIFLUOROMETHOXY)PHENYL}AMINO)-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Mps1 / TTK / kinase / inhibitor / Cpd-5 / Compound 5 / NMS-P715 / mutant / C604Y / C604W

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