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TitleDesign of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 57, Page 1601-1605, Year 2018
Publish dateSep 25, 2017 (structure data deposition date)
AuthorsXu, S. / Aguilar, A. / Xu, T. / Zheng, K. / Huang, L. / Stuckey, J. / Chinnaswamy, K. / Bernard, D. / Fernandez-Salas, E. / Liu, L. ...Xu, S. / Aguilar, A. / Xu, T. / Zheng, K. / Huang, L. / Stuckey, J. / Chinnaswamy, K. / Bernard, D. / Fernandez-Salas, E. / Liu, L. / Wang, M. / McEachern, D. / Przybranowski, S. / Foster, C. / Wang, S.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:29284071
MethodsX-ray diffraction
Resolution2.61 Å
Structure data

PDB-6b41:
Menin bound to M-525
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

Chemicals

ChemComp-CJV:
methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate

ChemComp-7PR:
praseodymium triacetate

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsPROTEIN BINDING/INHIBITOR / Covalent Inhibitor / MEN1 syndrome / leukemia / PROTEIN BINDING-INHIBITOR complex

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