7Q1M

Crystal structure of human butyrylcholinesterase in complex with N-[(2S)-3-[(cyclohexylmethyl)amino]-2-hydroxypropyl]-2,2-diphenylacetamide

Summary for 7Q1M

Entry DOI	10.2210/pdb7q1m/pdb
Descriptor	Cholinesterase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... (9 entities in total)
Functional Keywords	butyrylcholinesterase, inhibitor, complex, hydrolase
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	62859.09
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: 36696766 DOI: 10.1016/j.ejmech.2023.115135 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.79 Å)

Structure validation