4WZV
 
 | | Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain | | 分子名称: | (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... | | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | 登録日 | 2014-11-20 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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4XCT
 | | Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain. | | 分子名称: | (2S,3S)-butane-2,3-diol, (2~{R})-3-methyl-~{N}-oxidanylidene-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxy-amino]butanamide, 1,2-ETHANEDIOL, ... | | 著者 | Stura, E.A, Tepshi, L, Nuti, E, Dive, V, Cassar-Lajeunesse, E, Vera, L, Rossello, A. | | 登録日 | 2014-12-18 | | 公開日 | 2015-04-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
J.Med.Chem., 58, 2015
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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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4H76
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with a broad spectrum hydroxamate inhibitor | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | 登録日 | 2012-09-20 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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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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4H82
 | | Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Antoni, C, Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | 登録日 | 2012-09-21 | | 公開日 | 2013-05-01 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4HMA
 | | Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain | | 分子名称: | CALCIUM ION, D-MALATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Stura, E.A, Antoni, C, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | | 登録日 | 2012-10-18 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4H84
 | | Crystal structure of the catalytic domain of Human MMP12 in complex with a selective carboxylate based inhibitor. | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Stura, E.A, Antoni, C, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | 登録日 | 2012-09-21 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.592 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4H3X
 | | Crystal structure of an MMP broad spectrum hydroxamate based inhibitor CC27 in complex with the MMP-9 catalytic domain | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. | | 登録日 | 2012-09-14 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.764 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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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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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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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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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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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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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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4H49
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a twin inhibitor. | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Antoni, C, Stura, E.A, Vera, L, Nuti, E, Carafa, L, Cassar-Lajeunesse, E, Dive, V, Rossello, A. | | 登録日 | 2012-09-17 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4H1Q
 | | Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor. | | 分子名称: | CALCIUM ION, Matrix metalloproteinase-9, N-(4-{[(3R)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)-N'-(4-{[(3S)-3-[(biphenyl-4-ylsulfonyl)(propan-2-yloxy)amino]-4-(hydroxyamino)-4-oxobutyl]amino}-4-oxobutyl)benzene-1,3-dicarboxamide, ... | | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | | 登録日 | 2012-09-11 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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4H2E
 | | Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains | | 分子名称: | ACETATE ION, BICINE, CALCIUM ION, ... | | 著者 | Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Catalani, M.P, Dive, V, Rossello, A. | | 登録日 | 2012-09-12 | | 公開日 | 2013-04-24 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.902 Å) | | 主引用文献 | Crystallization of bi-functional ligand protein complexes.
J.Struct.Biol., 182, 2013
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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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5I3M
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31). | | 分子名称: | (2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, ... | | 著者 | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | 登録日 | 2016-02-10 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.17 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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