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TitleDiaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 3, Page 560-564, Year 2012
Publish dateMar 30, 2012 (structure data deposition date)
AuthorsKusakabe, K. / Ide, N. / Daigo, Y. / Itoh, T. / Higashino, K. / Okano, Y. / Tadano, G. / Tachibana, Y. / Sato, Y. / Inoue, M. ...Kusakabe, K. / Ide, N. / Daigo, Y. / Itoh, T. / Higashino, K. / Okano, Y. / Tadano, G. / Tachibana, Y. / Sato, Y. / Inoue, M. / Wada, T. / Iguchi, M. / Kanazawa, T. / Ishioka, Y. / Dohi, K. / Tagashira, S. / Kido, Y. / Sakamoto, S. / Yasuo, K. / Maeda, M. / Yamamoto, T. / Higaki, M. / Endoh, T. / Ueda, K. / Shiota, T. / Murai, H. / Nakamura, Y.
External linksAcs Med. Chem. Lett. / PubMed:24900510
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-3vqu:
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-amino-5-cyano-6-ethoxypyridin-2- yl)amino]benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-IOD:
IODIDE ION

ChemComp-O22:
4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / KINASE / SERINE/THREONINE-PROTEIN KINASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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