7Z60
| Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside | 分子名称: | 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ... | 著者 | Ciccone, L, Braca, A, Orlandini, E, Nencetti, S. | 登録日 | 2022-03-10 | 公開日 | 2022-05-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization Crystals, 12, 2022
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5E4A
| Human transthyretin (TTR) complexed with (2,7-Dichloro-fluoren-9-ylideneaminooxy)-acetic acid. | 分子名称: | Transthyretin, {[(2,7-dichloro-9H-fluoren-9-ylidene)amino]oxy}acetic acid | 著者 | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | 登録日 | 2015-10-05 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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6TI9
| Human transthyretin (TTR) complexed with (E)-3-(((3,5-dibromo-2-hydroxybenzylidene)amino)oxy)propanoic acid. | 分子名称: | 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid, GLYCEROL, S-1,2-PROPANEDIOL, ... | 著者 | Ciccone, L, Nencetti, S, Orlandini, E, Rossello, A, Legrand, P, Shepard, W. | 登録日 | 2019-11-22 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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6TJN
| Human transthyretin (TTR) complexed with (E)-3-(((4-hydroxybenzylidene)amino)oxy)propanoic acid | 分子名称: | 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid, Transthyretin | 著者 | Ciccone, L, Shepard, W, Nencetti, S, Orlandini, E, Rossello, A. | 登録日 | 2019-11-26 | 公開日 | 2020-12-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | 主引用文献 | Monoaryl derivatives as transthyretin fibril formation inhibitors: Design, synthesis, biological evaluation and structural analysis. Bioorg.Med.Chem., 28, 2020
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4TQP
| Human transthyretin (TTR) complexed with (R)-3-(9H-fluoren-9-ylideneaminooxy)-2-methyl-N-(methylsulfonyl) propionamide in a dual binding mode | 分子名称: | (2R)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methyl-N-(methylsulfonyl)propanamide, GLYCEROL, Transthyretin | 著者 | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | 登録日 | 2014-06-11 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQH
| Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)ethanoic acid | 分子名称: | 1,2-ETHANEDIOL, Transthyretin, [(9H-fluoren-9-ylideneamino)oxy]acetic acid | 著者 | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | 登録日 | 2014-06-11 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.511 Å) | 主引用文献 | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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4TQ8
| Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR) | 分子名称: | 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin | 著者 | Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A. | 登録日 | 2014-06-10 | 公開日 | 2015-06-24 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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5E4O
| Human transthyretin (TTR) complexed with (Z)-((3,4-Dichloro-phenyl)-methyleneaminooxy)-acetic acid | 分子名称: | ({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid, Transthyretin | 著者 | Ciccone, L, Savko, M, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | 登録日 | 2015-10-06 | 公開日 | 2016-03-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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5E23
| Human transthyretin (TTR) complexed with (2,7-Dibromo-fluoren-9-ylideneaminooxy)-acetic acid | 分子名称: | DIMETHYL SULFOXIDE, Transthyretin, {[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid | 著者 | Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A. | 登録日 | 2015-09-30 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR). J Enzyme Inhib Med Chem, 31, 2016
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5N5Q
| Human TTR altered conformation from soaking in iron chloride. | 分子名称: | ACETATE ION, FE (III) ION, Transthyretin, ... | 著者 | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | 登録日 | 2017-02-14 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Copper mediated amyloid-beta binding to Transthyretin. Sci Rep, 8, 2018
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5N7C
| Human TTR altered conformation from soaking in CuCl2. | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, COPPER (II) ION, ... | 著者 | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | 登録日 | 2017-02-20 | 公開日 | 2018-03-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Copper mediated amyloid-beta binding to Transthyretin. Sci Rep, 8, 2018
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5N62
| Human TTR crystals soaked in manganese chloride. | 分子名称: | MANGANESE (II) ION, Transthyretin | 著者 | Ciccone, L, Savko, M, Shepard, W, Stura, E.A. | 登録日 | 2017-02-14 | 公開日 | 2018-03-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Copper mediated amyloid-beta binding to Transthyretin. Sci Rep, 8, 2018
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4PME
| Human transthyretin (TTR) complexed with ferulic acid and curcumin. | 分子名称: | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | 著者 | Stura, E.A, Ciccone, L. | 登録日 | 2014-05-21 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.264 Å) | 主引用文献 | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures. N Biotechnol, 32, 2014
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4PM1
| Human transthyretin (TTR) complexed with 16-alpha-bromo-estradiol | 分子名称: | (14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol, 1,2-ETHANEDIOL, Transthyretin | 著者 | Stura, E.A, Ciccone, L. | 登録日 | 2014-05-20 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures. N Biotechnol, 32, 2014
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4PMF
| Human transthyretin (TTR) complexed with curcumin | 分子名称: | (1Z,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one, 1,2-ETHANEDIOL, SODIUM ION, ... | 著者 | Stura, E.A, Ciccone, L. | 登録日 | 2014-05-21 | 公開日 | 2014-10-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Transthyretin complexes with curcumin and bromo-estradiol: evaluation of solubilizing multicomponent mixtures. N Biotechnol, 32, 2014
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7ANQ
| Complete PCSK9 C-ter domain in complex with VHH P1.40 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Proprotein convertase subtilisin/kexin type 9, SULFATE ION, ... | 著者 | Ciccone, L, Legrand, P, Stura, E.A, Dive, V, Seidahn, N.G, Fruchart Gaillard, C. | 登録日 | 2020-10-12 | 公開日 | 2021-10-20 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Molecular interactions of PCSK9 with an inhibitory nanobody, CAP1 and HLA-C: Functional regulation of LDLR levels. Mol Metab, 67, 2022
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7OVY
| Crystal structure of a dimeric based inhibitor JG34 in complex with the MMP-12 catalytic domain | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Ciccone, L, Rossello, A, Vera, L, Nuti, E, Stura, E.A. | 登録日 | 2021-06-15 | 公開日 | 2021-10-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Discovery of Dimeric Arylsulfonamides as Potent ADAM8 Inhibitors. Acs Med.Chem.Lett., 12, 2021
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8AJ7
| Kunitz domain of Amblyomin-X | 分子名称: | 1,2-ETHANEDIOL, Kunitz domain of Amblyomin-X | 著者 | Ciccone, L, Servent, D, Stura, E.A. | 登録日 | 2022-07-27 | 公開日 | 2023-02-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity. Front Mol Biosci, 10, 2023
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6ELA
| Crystal structure of MMP12 in complex with inhibitor BE4. | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-09-28 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.485 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6ESM
| Crystal structure of MMP9 in complex with inhibitor BE4. | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-23 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.104 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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6EKN
| Crystal structure of MMP12 in complex with inhibitor BE7. | 分子名称: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]pentanedioic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-09-26 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies. J. Med. Chem., 61, 2018
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4TQI
| Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | 分子名称: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | 著者 | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | 登録日 | 2014-06-11 | 公開日 | 2015-06-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors. J Enzyme Inhib Med Chem, 2015
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5K1N
| Human TTR altered by a rhenium tris-carbonyl Pyta-C12 derivative | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Stura, E.A, Ciccone, L, Shepard, W. | 登録日 | 2016-05-18 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol., 195, 2016
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5K1J
| Human TTR altered by a rhenium tris-carbonyl Pyta-C8 derivative | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Stura, E.A, Ciccone, L, Shepard, W. | 登録日 | 2016-05-18 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Human TTR conformation altered by rhenium tris-carbonyl derivatives. J.Struct.Biol., 195, 2016
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5I12
| Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27). | 分子名称: | (2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | 登録日 | 2016-02-05 | 公開日 | 2016-07-06 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors. Chemmedchem, 11, 2016
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