{"global_stoichiometry": "Homo 4-mer - A4 ", "ligstr": "G24:A:C24 H24 O4:376.45:[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID:Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O:InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27):JYHIGYLGYNCMGI-UHFFFAOYSA-N;GOL:A:C3 H8 O3:92.09:GLYCEROL:C(C(CO)O)O:InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2:PEDCQBHIVMGVHV-UHFFFAOYSA-N;G24:B:C24 H24 O4:376.45:[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID:Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O:InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27):JYHIGYLGYNCMGI-UHFFFAOYSA-N;GOL:B:C3 H8 O3:92.09:GLYCEROL:C(C(CO)O)O:InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "uniprot_ac": "P02766", "inchi": "InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27)%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2", "reference": "J Struct Biol. 2011 Feb;173(2):323-32.", "author": "Trivella, D.B., Sairre, M.I., Foguel, D., Lima, L.M., Polikarpov, I.", "type": "Inhibitor complex", "ligand_id": "G24%%GOL%%G24%%GOL", "species": "Homo sapiens", "method": "X-RAY DIFFRACTION", "keyword": "Transthyretin", "gene_names": "TTR, PALB", "chain_id": "A%%A%%B%%B", "ligand_mw": "376.45%%92.09%%376.45%%92.09", "inchi_key": "JYHIGYLGYNCMGI-UHFFFAOYSA-N%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%JYHIGYLGYNCMGI-UHFFFAOYSA-N%%PEDCQBHIVMGVHV-UHFFFAOYSA-N", "secondary_structure": "CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP#CCEEEEEEETTTTEECCSCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSBSCEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECC&CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP#CCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSBSCEEEEEEECTTSCCEEEEEEEEETTEEEEEEEEECC", "amyloid_non_amyloid": "Non-amyloid", "length": "116", "remarks": "V30M mutant human transthyretin (TTR) complexed with GC-24 (V30M:GC-24)", "protein_name": "Transthyretin", "peptide_protein_sequence": "chain-ID A: CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP; chain-ID B: CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP", "ligand_name": "[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID%%GLYCEROL%%[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID%%GLYCEROL", "ligand_smiles": "Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O%%C(C(CO)O)O%%Cc1cc(cc(c1Cc2ccc(c(c2)Cc3ccccc3)O)C)OCC(=O)O%%C(C(CO)O)O", "pdb_id": "3NEX", "ec_number": "", "pdb_classification": "TRANSPORT PROTEIN", "mutation_s_field": "No", "ligand_formula": "C24 H24 O4%%C3 H8 O3%%C24 H24 O4%%C3 H8 O3", "r_value_free": "0.207", "alternative_name": "ATTR, Prealbumin, TBPA", "description": "They characterized the interactions of the synthetic triiodo L-thyronine analogs and thyroid hormone nuclear receptor TR-Beta-selective agonists GC-1 and GC-24 with the wild type and V30M variant of human transthyretin (TTR). The data indicate that both GC-1 and GC-24 bind to TTR in a non-cooperative manner and are good inhibitors of TTR aggregation", "resolution": "1.7", "pmid": "20937391", "entry": "S-0273"}