ISDA: 28WL

Deposition Date 2026-02-24

Release Date 2026-05-27

Last Version Date 2026-05-27

Entry Detail

PDB ID:

28WL

Keywords:

FLAVOPROTEIN

Title:

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)

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Komagataella pastoris

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.60 Å

R-Value Free:

0.18

R-Value Work:

0.15

R-Value Observed:

0.15

Space Group:

C 2 2 2

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Amine oxidase [flavin-contain
Gene (Uniprot):MAOB
Chain IDs:A, B
Chain Length:520
Number of Molecules:2
Biological Source:Homo sapiens

UniProt ID:P27338 Pfam ID:PF01593 EC:1.4.3.4

Ligand Molecules

A1JF0

C15

FAD

GOL

Primary Citation

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

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.Show

Eur.J.Med.Chem. ? 118961 ? (2026)

DOI: 10.1016/j.ejmech.2026.118961

Primary Citation of related structures

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