28WL

Crystal structure of human Monoamine Oxidase B (MAO B) in complex with 7-[(4-{[(3,4-dimethoxybenzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2H-chromen-2-one) (LP1488)

This is a non-PDB format compatible entry.

Summary for 28WL

• Entry DOI: 10.2210/pdb28wl/pdb
• Descriptor: Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, 7-[[4-[[(3,4-dimethoxyphenyl)methyl-methyl-amino]methyl]phenyl]methoxy]-4-(hydroxymethyl)chromen-2-one, ... (6 entities in total)
• Functional Keywords: monoamine oxidase, inhibitor, drug design, alzheimer, multitarget, flavoprotein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 121147.02

Authors

Marchese, S.,Gottinger, A.,Pisani, L.,Binda, C. (deposition date: 2026-02-24, release date: 2026-05-27)

• Primary citation: Rullo, M.,La Spada, G.,Brazzolotto, X.,Marchese, S.,El Idrissi, I.G.,Miciaccia, M.,Colella, M.,Brea, J.M.,Macchia, E.,Loza, M.I.,Gottinger, A.,Scilimati, A.,Perrone, M.G.,Stefanachi, A.,Binda, C.,Leonetti, F.,Pisani, L.; Leveraging multitargeting BChE-MAO B inhibitors against microglia-related neuroinflammation: in vitro biological evaluation, structure-activity relationships, drug-like properties, and X-ray crystal complexes; Eur.J.Med.Chem., :118961-, 2026; DOI: 10.1016/j.ejmech.2026.118961

Experimental method

X-RAY DIFFRACTION (1.6 Å)