4W63

TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR

Summary for 4W63

Entry DOI	10.2210/pdb4w63/pdb
Descriptor	Acetylcholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... (5 entities in total)
Functional Keywords	multitarget drug, enzyme-inhibitor complex, tacrine, benzofuran, hydrolase
Biological source	Torpedo californica (Pacific electric ray)
Total number of polymer chains	1
Total formula weight	61755.64
Authors	Pesaresi, A.,Samez, S.,Lamba, D. (deposition date: 2014-08-20, release date: 2015-09-09, Last modification date: 2024-01-10)
Primary citation	Zha, X.,Lamba, D.,Zhang, L.,Lou, Y.,Xu, C.,Kang, D.,Chen, L.,Xu, Y.,Zhang, L.,De Simone, A.,Samez, S.,Pesaresi, A.,Stojan, J.,Lopez, M.G.,Egea, J.,Andrisano, V.,Bartolini, M. Novel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography. J.Med.Chem., 59:114-131, 2016 Cited by PubMed: 26632651 DOI: 10.1021/acs.jmedchem.5b01119 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation