{"reference": "Biochim Biophys Acta. 2013 Nov;1830(11):5068-74.", "alternative_name": "ABPP, APPI, Alzheimer disease amyloid protein, Amyloid precursor protein, Amyloid-beta precursor protein, Cerebral vascular amyloid peptide, PreA4, Protease nexin-II", "entry": "S-0134", "gene_names": "APP, A4, AD1", "remarks": "3D NMR structure of a complex between the amyloid beta peptide (1-40) and the polyphenol epsilon-viniferin glucoside", "secondary_structure": "DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV#CCCCCCCSSCCCSSCSSCCCCSCCCCCCCCCCCCCCSSCC", "chain_id": "A", "inchi": "InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29+,30-,31+,32-,33-,34-/m1/s1", "amyloid_non_amyloid": "Non-amyloid", "pmid": "23830862", "ligand_smiles": "c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O", "keyword": "Amyloid beta A4 protein", "peptide_protein_sequence": "chain-ID A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVV", "uniprot_ac": "P05067", "protein_name": "Amyloid-beta A4 protein", "r_value_free": "", "mutation_s_field": "No", "ligand_mw": "616.61", "pdb_id": "2M9R", "inchi_key": "NHYFNLFVNSLRES-YNVKLIFMSA-N", "ec_number": "", "pdb_classification": "PROTEIN FIBRIL", "type": "Inhibitor complex", "author": "Richard, T., Papastamoulis, Y., Pierre, W.T., Monti, J.P.", "species": "Homo sapiens", "ligand_id": "23Y", "method": "SOLUTION NMR", "ligand_name": "(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside", "global_stoichiometry": "Monomer - A ", "resolution": "", "ligand_formula": "C34 H32 O11", "length": "40", "ligstr": "23Y:A:C34 H32 O11:616.61:(2S,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-6-yl beta-D-glucopyranoside:c1cc(ccc1/C=C/c2cc(cc3c2[C@@H]([C@H](O3)c4ccc(cc4)O)c5cc(cc(c5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O:InChI=1S/C34H32O11/c35-16-27-30(40)31(41)32(42)34(45-27)43-25-13-19(4-1-17-2-7-21(36)8-3-17)28-26(15-25)44-33(18-5-9-22(37)10-6-18)29(28)20-11-23(38)14-24(39)12-20/h1-15,27,29-42H,16H2/b4-1+/t27-,29+,30-,31+,32-,33-,34-/m1/s1:NHYFNLFVNSLRES-YNVKLIFMSA-N", "description": "Polyphenols are known to have wide-ranging properties with regard to health and for helping to prevent various diseases like neurodegenerative disorders. Thus inhibiting the formation of toxic ABeta assemblies is a reasonable hypothesis to prevent and perhaps treat AD METHODS: Solution NMR and molecular modeling were used to obtain more information about the interaction between the ABeta1-40 and the polyphenol ?-viniferin glucoside (EVG) and particularly the ABeta residues involved in the complex."}