{"reference": "J Am Chem Soc. 2011 May 4;133(17):6736-44.", "alternative_name": "", "entry": "S-0295", "gene_names": "", "remarks": "LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold, bromide derivative", "secondary_structure": "LVYFAAXLKA#CEEECCCCCC&LVYFAAXLKA#CEEECCCCCC&LVYFAAXLKA#CEEECCCCCC&LVYFAAXLKA#CEEECCCCCC&LVYFAAXLKA#CEECCCCCCC&LVYFAAXLKA#CCEECCCCCC&LVYFAAXLKA#CCEECCCCCC&LVYFAAXLKA#CEECCCCCCC", "chain_id": "A%%A%%A%%A%%B%%B%%B%%B%%C%%C%%C%%C%%D%%D%%D%%D%%D%%E%%E%%E%%E%%E%%F%%F%%F%%G%%G%%G%%H%%H%%H%%H%%H", "inchi": "InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/ClH/h1H/p-1%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/ClH/h1H/p-1%%InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/ClH/h1H/p-1%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1%%InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1%%InChI=1S/ClH/h1H/p-1%%InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)%%InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3%%InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1", "amyloid_non_amyloid": "Amyloid", "pmid": "21473620", "ligand_smiles": "c1cc(ccc1C[C@@H](C(=O)O)N)Br%%[Cl-]%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%C(C(CO)O)O%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%C(C(CO)O)O%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%[Cl-]%%C(C(CO)O)O%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%[Cl-]%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%CC(C)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%C(C[C@@H](C(=O)O)N)CN%%c1cc(ccc1C[C@@H](C(=O)O)N)Br%%[Cl-]%%COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O%%CC(C)O%%C(C[C@@H](C(=O)O)N)CN", "keyword": "Cyclic pseudo-peptide LV(4BF)FA(ORN)(HAO)LK(ORN)", "peptide_protein_sequence": "chain-ID A: LVYFAAXLKA; chain-ID B: LVYFAAXLKA; chain-ID C: LVYFAAXLKA; chain-ID D: LVYFAAXLKA; chain-ID E: LVYFAAXLKA; chain-ID F: LVYFAAXLKA; chain-ID G: LVYFAAXLKA; chain-ID H: LVYFAAXLKA", "uniprot_ac": "", "protein_name": "Amyloid-Beta", "r_value_free": "0.218", "mutation_s_field": "No", "ligand_mw": "244.09%%35.45%%253.21%%132.16%%244.09%%92.09%%253.21%%132.16%%244.09%%92.09%%253.21%%132.16%%244.09%%35.45%%92.09%%253.21%%132.16%%244.09%%35.45%%253.21%%60.1%%132.16%%244.09%%253.21%%132.16%%244.09%%253.21%%132.16%%244.09%%35.45%%253.21%%60.1%%132.16", "pdb_id": "3Q9I", "inchi_key": "PEMUHKUIQHFMTH-QMMMGPOBSA-N%%VEXZGXHMUGYJMC-UHFFFAOYSA-M%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%VEXZGXHMUGYJMC-UHFFFAOYSA-M%%PEDCQBHIVMGVHV-UHFFFAOYSA-N%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%VEXZGXHMUGYJMC-UHFFFAOYSA-M%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%KFZMGEQAYNKOFK-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N%%PEMUHKUIQHFMTH-QMMMGPOBSA-N%%VEXZGXHMUGYJMC-UHFFFAOYSA-M%%GRLLMVZTTMERGI-UHFFFAOYSA-N%%KFZMGEQAYNKOFK-UHFFFAOYSA-N%%AHLPHDHHMVZTML-BYPYZUCNSA-N", "ec_number": "", "pdb_classification": "PROTEIN FIBRIL", "type": "Fibril", "author": "Liu, C., Sawaya, M.R., Cheng, P.N., Zheng, J., Nowick, J.S., Eisenberg, D.", "species": "", "ligand_id": "4BF%%CL%%HAO%%ORN%%4BF%%GOL%%HAO%%ORN%%4BF%%GOL%%HAO%%ORN%%4BF%%CL%%GOL%%HAO%%ORN%%4BF%%CL%%HAO%%IPA%%ORN%%4BF%%HAO%%ORN%%4BF%%HAO%%ORN%%4BF%%CL%%HAO%%IPA%%ORN", "method": "X-RAY DIFFRACTION", "ligand_name": "4-BROMO-L-PHENYLALANINE%%CHLORIDE ION%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%GLYCEROL%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%GLYCEROL%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%CHLORIDE ION%%GLYCEROL%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%CHLORIDE ION%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%ISOPROPYL ALCOHOL%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%L-ornithine%%4-BROMO-L-PHENYLALANINE%%CHLORIDE ION%%{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid%%ISOPROPYL ALCOHOL%%L-ornithine", "global_stoichiometry": "Homo 4-mer - A4 ", "resolution": "1.99", "ligand_formula": "C9 H10 Br N O2%%Cl -1%%C10 H11 N3 O5%%C5 H12 N2 O2%%C9 H10 Br N O2%%C3 H8 O3%%C10 H11 N3 O5%%C5 H12 N2 O2%%C9 H10 Br N O2%%C3 H8 O3%%C10 H11 N3 O5%%C5 H12 N2 O2%%C9 H10 Br N O2%%Cl -1%%C3 H8 O3%%C10 H11 N3 O5%%C5 H12 N2 O2%%C9 H10 Br N O2%%Cl -1%%C10 H11 N3 O5%%C3 H8 O%%C5 H12 N2 O2%%C9 H10 Br N O2%%C10 H11 N3 O5%%C5 H12 N2 O2%%C9 H10 Br N O2%%C10 H11 N3 O5%%C5 H12 N2 O2%%C9 H10 Br N O2%%Cl -1%%C10 H11 N3 O5%%C3 H8 O%%C5 H12 N2 O2", "length": "10", "ligstr": "4BF:A:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;CL:A:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M;HAO:A:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;ORN:A:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:B:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-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;HAO:B:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;ORN:B:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:C:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;GOL:C: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;HAO:C:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;ORN:C:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:D:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;CL:D:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M;GOL:D: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;HAO:D:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;ORN:D:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:E:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;CL:E:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M;HAO:E:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;IPA:E:C3 H8 O:60.1:ISOPROPYL ALCOHOL:CC(C)O:InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3:KFZMGEQAYNKOFK-UHFFFAOYSA-N;ORN:E:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:F:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;HAO:F:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;ORN:F:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:G:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;HAO:G:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;ORN:G:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N;4BF:H:C9 H10 Br N O2:244.09:4-BROMO-L-PHENYLALANINE:c1cc(ccc1C[C@@H](C(=O)O)N)Br:InChI=1S/C9H10BrNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1:PEMUHKUIQHFMTH-QMMMGPOBSA-N;CL:H:Cl -1:35.45:CHLORIDE ION:[Cl-]:InChI=1S/ClH/h1H/p-1:VEXZGXHMUGYJMC-UHFFFAOYSA-M;HAO:H:C10 H11 N3 O5:253.21:{[3-(hydrazinocarbonyl)-4-methoxyphenyl]amino}(oxo)acetic acid:COc1ccc(cc1C(=O)NN)NC(=O)C(=O)O:InChI=1S/C10H11N3O5/c1-18-7-3-2-5(12-9(15)10(16)17)4-6(7)8(14)13-11/h2-4H,11H2,1H3,(H,12,15)(H,13,14)(H,16,17):GRLLMVZTTMERGI-UHFFFAOYSA-N;IPA:H:C3 H8 O:60.1:ISOPROPYL ALCOHOL:CC(C)O:InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3:KFZMGEQAYNKOFK-UHFFFAOYSA-N;ORN:H:C5 H12 N2 O2:132.16:L-ornithine:C(C[C@@H](C(=O)O)N)CN:InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1:AHLPHDHHMVZTML-BYPYZUCNSA-N", "description": "They explore oligomer structure using a model system: macrocyclic peptides. Key amyloidogenic sequences from ABeta and tau were incorporated into macrocycles, thereby restraining them to Beta-strands, but limiting the growth of the oligomers so they may crystallize and cannot fibrillate. Oligomers reveal tetrameric interfaces in which Beta-sheet dimers pair together by highly complementary, dry interfaces, analogous to steric zippers found in fibers, suggesting a common structure for amyloid oligomers and fibers. In amyloid fibers, the axes of the paired sheets are either parallel or antiparallel, whereas the oligomeric interfaces display a variety of sheet-to-sheet pairing angles, offering a structural explanation for the heterogeneity of amyloid oligomers."}