{"reference": "Bioorg Med Chem. 2010 Jan 1;18(1):100-10.", "alternative_name": "ATTR, Prealbumin, TBPA", "entry": "S-0198", "gene_names": "TTR, PALB", "remarks": "Crystal structure of human wild-type transthyretin in complex with diclofenac (33% wtTTR fibril formation inhibition)", "secondary_structure": "CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHTTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECCCCCCEEEEEEEEETTEEEEEEEEECCCC", "chain_id": "A%%B", "inchi": "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)%%InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)", "amyloid_non_amyloid": "Non-amyloid", "pmid": "19954984", "ligand_smiles": "c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl%%c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl", "keyword": "Transthyretin", "peptide_protein_sequence": "chain-ID A: CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "uniprot_ac": "P02766", "protein_name": "Transthyretin", "r_value_free": "0.249", "mutation_s_field": "No", "ligand_mw": "296.15%%296.15", "pdb_id": "3CFQ", "inchi_key": "DCOPUUMXTXDBNB-UHFFFAOYSA-N%%DCOPUUMXTXDBNB-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "TRANSPORT PROTEIN", "type": "Inhibitor complex", "author": "Lima, L.M., Silva, V.D., Palmieri, L.D., Oliveira, M.C., Foguel, D., Polikarpov, I.", "species": "Homo sapiens", "ligand_id": "DIF%%DIF", "method": "X-RAY DIFFRACTION", "ligand_name": "2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID%%2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID", "global_stoichiometry": "Homo 4-mer - A4 ", "resolution": "2.09", "ligand_formula": "C14 H11 Cl2 N O2%%C14 H11 Cl2 N O2", "length": "118", "ligstr": "DIF:A:C14 H11 Cl2 N O2:296.15:2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID:c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl:InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19):DCOPUUMXTXDBNB-UHFFFAOYSA-N;DIF:B:C14 H11 Cl2 N O2:296.15:2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID:c1ccc(c(c1)CC(=O)O)Nc2c(cccc2Cl)Cl:InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19):DCOPUUMXTXDBNB-UHFFFAOYSA-N", "description": "Crystal structure of human wild-type transthyretin in complex with diclofenac, a ligand that inhibits the fibril formation."}