7Q1P
Crystal structure of human butyrylcholinesterase in complex with N-[(2R)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-3,3-diphenylpropanamide
Summary for 7Q1P
Entry DOI | 10.2210/pdb7q1p/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 | 63319.35 |
Authors | Brazzolotto, X.,Panek, D.,Pasieka, A.,Malawska, B.,Nachon, F. (deposition date: 2021-10-20, release date: 2022-11-16, Last modification date: 2024-02-07) |
Primary citation | Panek, D.,Pasieka, A.,Latacz, G.,Zareba, P.,Szczech, M.,Godyn, J.,Chantegreil, F.,Nachon, F.,Brazzolotto, X.,Skrzypczak-Wiercioch, A.,Walczak, M.,Smolik, M.,Salat, K.,Hofner, G.,Wanner, K.,Wieckowska, A.,Malawska, B. Discovery of new, highly potent and selective inhibitors of BuChE - design, synthesis, in vitro and in vivo evaluation and crystallography studies. Eur.J.Med.Chem., 249:115135-115135, 2023 Cited by PubMed: 36696766DOI: 10.1016/j.ejmech.2023.115135 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.35 Å) |
Structure validation
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