7QHD
Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide
Summary for 7QHD
Entry DOI | 10.2210/pdb7qhd/pdb |
Descriptor | Cholinesterase, CHLORIDE ION, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (11 entities in total) |
Functional Keywords | butyrylcholinesterase, inhibitor, complex, hydrolase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 64125.80 |
Authors | Brazzolotto, X.,Jing, L.,Zhan, P.,Liu, X.,Nachon, F. (deposition date: 2021-12-12, release date: 2022-12-21, Last modification date: 2024-02-07) |
Primary citation | Jing, L.,Wei, W.,Meng, B.,Chantegreil, F.,Nachon, F.,Martinez, A.,Wu, G.,Zhao, H.,Song, Y.,Kang, D.,Brazzolotto, X.,Zhan, P.,Liu, X. Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies. Bioorg.Chem., 134:106465-106465, 2023 Cited by PubMed: 36933339DOI: 10.1016/j.bioorg.2023.106465 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.04 Å) |
Structure validation
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