4XII

X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide

Summary for 4XII

• Entry DOI: 10.2210/pdb4xii/pdb
• Related: 4TPK
• Descriptor: Cholinesterase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• Functional Keywords: anti-alzherimer, hubuche, human butyrylcholinesterase, metal chelator, abeta peptide, ab aggregation, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 129518.91

Authors

Knez, D.,Boris, B.,Coquelle, N.,Sosic, I.,Sink, R.,Brazzolotto, X.,Mravljak, J.,Colletier, J.P.,Gobec, S. (deposition date: 2015-01-07, release date: 2015-07-08, Last modification date: 2020-07-29)

• Primary citation: Knez, D.,Brus, B.,Coquelle, N.,Sosic, I.,Sink, R.,Brazzolotto, X.,Mravljak, J.,Colletier, J.P.,Gobec, S.; Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents.; Bioorg.Med.Chem., 23:4442-4452, 2015; PubMed: 26116179; DOI: 10.1016/j.bmc.2015.06.010

Experimental method

X-RAY DIFFRACTION (2.7 Å)