6B41

Menin bound to M-525

Summary for 6B41

• Entry DOI: 10.2210/pdb6b41/pdb
• Descriptor: Menin, 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, praseodymium triacetate, ... (4 entities in total)
• Functional Keywords: covalent inhibitor, men1 syndrome, leukemia, protein binding-inhibitor complex, protein binding/inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus : O00255
• Total number of polymer chains: 1
• Total formula weight: 63070.33

Authors

Stuckey, J.A. (deposition date: 2017-09-25, release date: 2018-01-24, Last modification date: 2023-10-04)

• Primary citation: 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.; Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction.; Angew. Chem. Int. Ed. Engl., 57:1601-1605, 2018; PubMed: 29284071; DOI: 10.1002/anie.201711828

Experimental method

X-RAY DIFFRACTION (2.61 Å)