7K41
Bacterial O-GlcNAcase (OGA) with compound
Summary for 7K41
Entry DOI | 10.2210/pdb7k41/pdb |
Descriptor | O-GlcNAcase BT_4395, ACETATE ION, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ... (5 entities in total) |
Functional Keywords | oga, virtual screening, structure based drug design, sbdd, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Escherichia coli K-12 |
Total number of polymer chains | 1 |
Total formula weight | 83552.48 |
Authors | |
Primary citation | Tawada, M.,Fushimi, M.,Masuda, K.,Sun, H.,Uchiyama, N.,Kosugi, Y.,Lane, W.,Tjhen, R.,Endo, S.,Koike, T. Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization. J.Med.Chem., 64:1103-1115, 2021 Cited by PubMed: 33404239DOI: 10.1021/acs.jmedchem.0c01712 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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