5D2B
| Crystal structure of a mutated catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | 著者 | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | 登録日 | 2015-08-05 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem., 60, 2017
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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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5CXA
| Crystal structure of the catalytic domain of Human MMP12 in complex with a carboxylate inhibitor related to RXP470 | 分子名称: | (R)-4-(((S)-1-(((S)-1-amino-4-carboxy-1-oxobutan-2-yl)amino)-4-carboxy-1-oxobutan-2-yl)amino)-3-((3-(3'-chloro-[1,1'-biphenyl]-4-yl)isoxazol-5-yl)methyl)-4-oxobutanoate, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | 登録日 | 2015-07-28 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem., 60, 2017
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5CZM
| Crystal structure of a mutated catalytic domain of Human MMP12 in complex with RXP470 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | 著者 | Rouanet-Mehouas, C, Roselia, L, Devel, L, Dive, V, Stura, E.A. | 登録日 | 2015-07-31 | 公開日 | 2016-08-10 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.303 Å) | 主引用文献 | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem., 60, 2017
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5CUH
| Crystal structure MMP-9 complexes with a constrained hydroxamate based inhibitor LT4 | 分子名称: | (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide, 1,2-ETHANEDIOL, CALCIUM ION, ... | 著者 | Tepshi, L, Vera, L, Nuti, E, Rosalia, L, Rossello, A, Stura, E.A. | 登録日 | 2015-07-24 | 公開日 | 2016-02-10 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Discovery of a new selective inhibitor of A Disintegrin And Metalloprotease 10 (ADAM-10) able to reduce the shedding of NKG2D ligands in Hodgkin's lymphoma cell models. Eur.J.Med.Chem., 111, 2016
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5D3C
| Crystal structure of a double mutant catalytic domain of Human MMP12 in complex with an hydroxamate analogue of RXP470 | 分子名称: | CALCIUM ION, Macrophage metalloelastase, N-[(2R)-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}-4-(hydroxyamino)-4-oxobutanoyl]-L-alpha-glutamyl-L-alpha-glutamine, ... | 著者 | Rouanet-Mehouas, C, Devel, L, Dive, V, Stura, E.A. | 登録日 | 2015-08-06 | 公開日 | 2016-08-17 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.314 Å) | 主引用文献 | Zinc-Metalloproteinase Inhibitors: Evaluation of the Complex Role Played by the Zinc-Binding Group on Potency and Selectivity. J. Med. Chem., 60, 2017
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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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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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2J6E
| Crystal Structure of an Autoimmune Complex between a Human IgM Rheumatoid Factor and IgG1 Fc reveals a Novel Fc Epitope and Evidence for Affinity Maturation | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CACODYLATE ION, ... | 著者 | Duquerroy, S, Stura, E.A, Bressanelli, S, Browne, H, Beale, D, Hamon, M, Casali, P, Vaney, M.C, Rey, F.A, Sutton, B.J, Taussig, M.J. | 登録日 | 2006-09-28 | 公開日 | 2007-04-10 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Crystal structure of a human autoimmune complex between IgM rheumatoid factor RF61 and IgG1 Fc reveals a novel epitope and evidence for affinity maturation. J.Mol.Biol., 368, 2007
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2GLQ
| X-ray structure of human alkaline phosphatase in complex with strontium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkaline phosphatase, placental type, ... | 著者 | Llinas, P, Masella, M, Stigbrand, T, Menez, A, Stura, E.A, Le Du, M.H. | 登録日 | 2006-04-05 | 公開日 | 2006-04-25 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural studies of human alkaline phosphatase in complex with strontium: Implication for its secondary effect in bones. Protein Sci., 15, 2006
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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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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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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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6ENM
| Crystal structure of MMP12 in complex with hydroxamate inhibitor LP168. | 分子名称: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-05 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.59 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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6EOX
| Crystal structure of MMP12 in complex with carboxylic inhibitor LP165. | 分子名称: | 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid, CALCIUM ION, Macrophage metalloelastase, ... | 著者 | Vera, L, Nuti, E, Rossello, A, Stura, E.A. | 登録日 | 2017-10-10 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 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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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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6F2A
| Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/Lysine | 分子名称: | ACETIC ACID, CHLORIDE ION, FE (II) ION, ... | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | 登録日 | 2017-11-24 | 公開日 | 2018-11-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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6F2B
| Crystal structure of the complex Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/alpha-ketoglutarate | 分子名称: | 2-OXOGLUTARIC ACID, FE (II) ION, L-lysine 3-hydroxylase | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | 登録日 | 2017-11-24 | 公開日 | 2018-11-14 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 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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6F6J
| Crystal structure of the Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 with Fe(II)/succinate/(3S)-3-hydroxy-L-lysine | 分子名称: | (2~{S},3~{R})-2,6-bis(azanyl)-3-oxidanyl-hexanoic acid, ACETATE ION, FE (III) ION, ... | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | 登録日 | 2017-12-05 | 公開日 | 2018-11-14 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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6F2E
| Crystal structure of the APO Fe(II)/alpha-ketoglutarate dependent dioxygenase KDO1 | 分子名称: | ACETIC ACID, L-lysine 3-hydroxylase | 著者 | Isabet, T, Stura, E.A, Legrand, P, Zaparucha, A, Bastard, K. | 登録日 | 2017-11-24 | 公開日 | 2018-11-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Studies based on two Lysine Dioxygenases with Distinct Regioselectivity Brings Insights Into Enzyme Specificity within the Clavaminate Synthase-Like Family. Sci Rep, 8, 2018
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6FD1
| 7-FE FERREDOXIN FROM AZOTOBACTER VINELANDII LOW TEMPERATURE, 1.35 A | 分子名称: | 7-FE FERREDOXIN I (FD1), FE3-S4 CLUSTER, IRON/SULFUR CLUSTER | 著者 | Stout, C.D, Stura, E.A, Mcree, D.E. | 登録日 | 1997-09-17 | 公開日 | 1997-11-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Structure of Azotobacter vinelandii 7Fe ferredoxin at 1.35 A resolution and determination of the [Fe-S] bonds with 0.01 A accuracy. J.Mol.Biol., 278, 1998
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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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2CUA
| THE CUA DOMAIN OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS | 分子名称: | DINUCLEAR COPPER ION, PROTEIN (CUA), ZINC ION | 著者 | Williams, P.A, Blackburn, N.J, Sanders, D, Bellamy, H, Stura, E.A, Fee, J.A, Mcree, D.E. | 登録日 | 1999-02-18 | 公開日 | 1999-05-28 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The CuA domain of Thermus thermophilus ba3-type cytochrome c oxidase at 1.6 A resolution. Nat.Struct.Biol., 6, 1999
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