{"reference": "Sci Transl Med. 2015 Aug 5;7(299):299ra123.", "alternative_name": "Small s protein, Vegetative incompatibility protein s", "entry": "S-0142", "gene_names": "het-s, small s", "remarks": "HADDOCK calculated model of LIN5001 bound to the HET-s amyloid", "secondary_structure": "MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH#CCCCCCCCCEEEEEEEEESSCEEEEEEEECGGGCSCCCCSCCCSCEEEEEEEEESSCEEEEEEEECSSSSSSCCCCCCC&MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH#CCCCCCCCCEECCEEEEESSCEEEESCEECGGGTTSCCCSCCCCCEEEEEEEEESSCEEEESCEECCSSSSSCCCCCCC&MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH#CCCCCCCCCEEEEEEEEESSCEEEESCEECTTCCCCCCCCCCCCCEEEEEEEEESSCEEEESCEEESSSSSSCSSCCCC&MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH#CCCCCCCCCEEEEEEEEESSCEEEEEEEEETTCCTTTCCCCSCSCEEEEEEEEESSEEEEEEEEESSSSCSSCSCSCCC&MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH#CCCCCCCCCEEEEEEEEESSEEEEEEEEECTTCCSSCSCCCCCCCEEEEEEEEESSCEEEEEECCCSSSSSCCCCCCCC", "chain_id": "B", "inchi": "InChI=1S/C26H16O8S5/c27-21(28)9-11-7-19(13-1-5-17(35-13)25(31)32)38-23(11)15-3-4-16(37-15)24-12(10-22(29)30)8-20(39-24)14-2-6-18(36-14)26(33)34/h1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)", "amyloid_non_amyloid": "Amyloid", "pmid": "26246168", "ligand_smiles": "c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O", "keyword": "Heterokaryon incompatibility protein s", "peptide_protein_sequence": "chain-ID A: MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH; chain-ID B: MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH; chain-ID C: MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH; chain-ID D: MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH; chain-ID E: MKIDAIVGRNSAKDIRTEERARVQLGNVVTAAALHGGIRISDQTTNSVKTVVGKGESRVLIGNEYGGKGFWDNHHHHHH", "uniprot_ac": "Q03689", "protein_name": "Heterokaryon incompatibility protein s", "r_value_free": "", "mutation_s_field": "No", "ligand_mw": "616.72", "pdb_id": "2MUS", "inchi_key": "SZFMXSCJFCPHEZ-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "PROTEIN FIBRIL", "type": "Fibril", "author": "Herrmann, U.S., Schutz, A.K., Shirani, H., Huang, D., Saban, D., Nuvolone, M., Li, B., Ballmer, B., Aslund, A.K., Mason, J.J., Rushing, E., Budka, H., Nystrom, S., Hammarstrom, P., Bockmann, A., Caflisch, A., Meier, B.H., Nilsson, K.P., Hornemann, S., Agu", "species": "Podospora anserina", "ligand_id": "3LS", "method": "SOLUTION NMR", "ligand_name": "3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid", "global_stoichiometry": "Homo 5-mer - A5 ", "resolution": "", "ligand_formula": "C26 H16 O8 S5", "length": "79", "ligstr": "3LS:B:C26 H16 O8 S5:616.72:3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid:c1cc(sc1c2c(cc(s2)c3ccc(s3)C(=O)O)CC(=O)O)c4c(cc(s4)c5ccc(s5)C(=O)O)CC(=O)O:InChI=1S/C26H16O8S5/c27-21(28)9-11-7-19(13-1-5-17(35-13)25(31)32)38-23(11)15-3-4-16(37-15)24-12(10-22(29)30)8-20(39-24)14-2-6-18(36-14)26(33)34/h1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34):SZFMXSCJFCPHEZ-UHFFFAOYSA-N", "description": "They explored antiprion properties of luminescent conjugated polythiophenes (LCPs) that bind and stabilize ordered protein aggregates. That antiprion activity required a minimum of five thiophene rings bearing regularly spaced carboxyl side groups. Solid-state nuclear magnetic resonance analyses and molecular dynamics simulations revealed that anionic side chains interacted with complementary, regularly spaced cationic amyloid residues of model prions.  The new set of LCPs showed robust prophylactic and therapeutic potency in prion-infected mice, with the lead compound extending survival by >80% and showing activity against both mouse and hamster prions as well as efficacy upon intraperitoneal administration into mice. "}