7D9O
Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with Compound 2
Summary for 7D9O
Entry DOI | 10.2210/pdb7d9o/pdb |
Descriptor | Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, (2R)-2-[[4-fluoranyl-1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one, ... (4 entities in total) |
Functional Keywords | ache inhibitor, complex structure, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 123623.05 |
Authors | |
Primary citation | Zhou, Y.,Fu, Y.,Yin, W.,Li, J.,Wang, W.,Bai, F.,Xu, S.,Gong, Q.,Peng, T.,Hong, Y.,Zhang, D.,Zhang, D.,Liu, Q.,Xu, Y.,Xu, H.E.,Zhang, H.,Jiang, H.,Liu, H. Kinetics-Driven Drug Design Strategy for Next-Generation Acetylcholinesterase Inhibitors to Clinical Candidate. J.Med.Chem., 64:1844-1855, 2021 Cited by PubMed: 33570950DOI: 10.1021/acs.jmedchem.0c01863 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.45 Å) |
Structure validation
Download full validation report