{"reference": "FEBS Lett. 2013 Aug 2;587(15):2325-31.", "alternative_name": "ATTR, Prealbumin, TBPA", "entry": "S-0327", "gene_names": "TTR, PALB", "remarks": "Crystal structure of transthyretin in complex with diflunisal at acidic pH", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGSSPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSSEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGSSPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECSSSCCEEEEEEEEETTEEEEEEEEECCCC", "chain_id": "A%%B", "inchi": "InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)%%InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)", "amyloid_non_amyloid": "Non-amyloid", "pmid": "23792159", "ligand_smiles": "c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O%%c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O", "keyword": "Transthyretin", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "uniprot_ac": "P02766", "protein_name": "Transthyretin", "r_value_free": "0.222", "mutation_s_field": "No", "ligand_mw": "250.2%%250.2", "pdb_id": "4I89", "inchi_key": "HUPFGZXOMWLGNK-UHFFFAOYSA-N%%HUPFGZXOMWLGNK-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "transport protein/inhibitor", "type": "Inhibitor complex", "author": "Zanotti, G., Cendron, L., Folli, C., Florio, P., Imbimbo, B.P., Berni, R.", "species": "Homo sapiens", "ligand_id": "1FL%%1FL", "method": "X-RAY DIFFRACTION", "ligand_name": "5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID%%5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID", "global_stoichiometry": "Homo 4-mer - A4 ", "resolution": "1.69", "ligand_formula": "C13 H8 F2 O3%%C13 H8 F2 O3", "length": "127", "ligstr": "1FL:A:C13 H8 F2 O3:250.2:5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID:c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O:InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18):HUPFGZXOMWLGNK-UHFFFAOYSA-N;1FL:B:C13 H8 F2 O3:250.2:5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID:c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O:InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18):HUPFGZXOMWLGNK-UHFFFAOYSA-N", "description": "Structural evidence has been obtained by X-ray analysis for the native state stabilization of I84S TTR by two chemically distinct fibrillogenesis inhibitors. They fully prevent the acidic pH-induced protein conformational change as a result of a long-range stabilizing effect."}