6PM9

Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719

Summary for 6PM9

• Entry DOI: 10.2210/pdb6pm9/pdb
• Descriptor: O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain, (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, ... (4 entities in total)
• Functional Keywords: hydrolase, o-glcnacase, gh84, inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 8
• Total formula weight: 250691.40

Authors

Klein, D.J.,Selnick, H.G.,Duffy, J.L.,McEachern, E.J. (deposition date: 2019-07-01, release date: 2019-09-18, Last modification date: 2024-03-13)

• Primary citation: Selnick, H.G.,Hess, J.F.,Tang, C.,Liu, K.,Schachter, J.B.,Ballard, J.E.,Marcus, J.,Klein, D.J.,Wang, X.,Pearson, M.,Savage, M.J.,Kaul, R.,Li, T.S.,Vocadlo, D.J.,Zhou, Y.,Zhu, Y.,Mu, C.,Wang, Y.,Wei, Z.,Bai, C.,Duffy, J.L.,McEachern, E.J.; Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.; J.Med.Chem., 62:10062-10097, 2019; PubMed: 31487175; DOI: 10.1021/acs.jmedchem.9b01090

Experimental method

X-RAY DIFFRACTION (2.86 Å)