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PDB: 173 件

3NKT
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Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with naphthoate
分子名称: 1-hydroxynaphthalene-2-carboxylic acid, FE (II) ION, GLYCEROL, ...
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2010-06-21
公開日2011-07-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases.
J.Struct.Biol., 177, 2012
7BM4
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Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulphamoylphenyl)selenourea
分子名称: 1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)selenourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-01-19
公開日2022-03-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
3NP6
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The crystal structure of Berberine bound to DNA d(CGTACG)
分子名称: 5'-D(*CP*GP*TP*AP*CP*G)-3', BERBERINE, CALCIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2010-06-28
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
1MFM
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MONOMERIC HUMAN SOD MUTANT F50E/G51E/E133Q AT ATOMIC RESOLUTION
分子名称: CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ...
著者Ferraroni, M, Rypniewski, W, Wilson, K.S, Orioli, P.L, Viezzoli, M.S, Banci, L, Bertini, I, Mangani, S.
登録日1999-04-16
公開日1999-04-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献The crystal structure of the monomeric human SOD mutant F50E/G51E/E133Q at atomic resolution. The enzyme mechanism revisited.
J.Mol.Biol., 288, 1999
3NX5
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The crystal structure of Sanguinarine bound to DNA d(CGTACG)
分子名称: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, 5'-D(*CP*GP*TP*AP*CP*G)-3', CALCIUM ION
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2010-07-13
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献X-Ray diffraction analyses of the natural isoquinoline alkaloids Berberine and Sanguinarine complexed with double helix DNA d(CGTACG)
Chem.Commun.(Camb.), 47, 2011
3O6R
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Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol
分子名称: (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, BENZENE-1,2,3-TRIOL, Chlorocatechol 1,2-dioxygenase, ...
著者Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L.
登録日2010-07-29
公開日2011-08-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity.
J. Struct. Biol., 181, 2013
7O2S
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Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
著者Ferraroni, M, Angeli, A.
登録日2021-03-31
公開日2022-04-13
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
8B04
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STRUCTURE OF PORCINE PANCREATIC ELASTASE BOUND TO A FRAGMENT OF AN ISOXAZOLONE INHIBITOR
分子名称: 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one, CALCIUM ION, Chymotrypsin-like elastase family member 1, ...
著者Ferraroni, M, Giovannoni, P, Masini, V.
登録日2022-09-07
公開日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献X-ray structural study of human neutrophil elastase inhibition with a series of azaindoles, azaindazoles and isoxazolones
J.Mol.Struct., 1274, 2023
5E2S
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Crystal structure of human carbonic anhydrase II in complex with the 4-(2-iso-propylphenyl)benzenesulfonamide inhibitor
分子名称: 2'-(propan-2-yl)biphenyl-4-sulfonamide, Carbonic anhydrase 2, ZINC ION
著者Ferraroni, M, Supuran, C.T.
登録日2015-10-01
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
J.Med.Chem., 59, 2016
5E2K
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Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor
分子名称: 3'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T.
登録日2015-10-01
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
J.Med.Chem., 59, 2016
4FAG
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Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant in complex with gentisate
分子名称: 2,5-dihydroxybenzoic acid, FE (III) ION, GLYCEROL, ...
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2012-05-22
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase - Rational design of mutants and the crystal structures of the A85H and W104Y variants.
J.Struct.Biol., 180, 2012
4FAH
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Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans A85H mutant
分子名称: FE (III) ION, Gentisate 1,2-dioxygenase
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2012-05-22
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase - Rational design of mutants and the crystal structures of the A85H and W104Y variants.
J.Struct.Biol., 180, 2012
4FBF
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Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant
分子名称: FE (III) ION, Gentisate 1,2-dioxygenase
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2012-05-23
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The generation of a 1-hydroxy-2-naphthoate 1,2-dioxygenase by single point mutations of salicylate 1,2-dioxygenase - Rational design of mutants and the crystal structures of the A85H and W104Y variants.
J.Struct.Biol., 180, 2012
4KUV
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Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
分子名称: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2013-05-22
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
4KUW
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BU of 4kuw by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-fluorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
分子名称: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2013-05-22
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
5E28
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BU of 5e28 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor
分子名称: 4'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T.
登録日2015-09-30
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
J.Med.Chem., 59, 2016
4KUY
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Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
分子名称: 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2013-05-22
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
4KV0
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Crystal structure of human carbonic anhydrase II in complex with the 5-(3-tosylureido)pyridine-2-sulfonamide inhibitor
分子名称: 5-({[(4-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2013-05-22
公開日2014-06-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies.
Bioorg.Med.Chem., 22, 2014
6F3B
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BU of 6f3b by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor
分子名称: 1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, ACETATE ION, Carbonic anhydrase 1, ...
著者Ferraroni, M, Supuran, C.T, Chiapponi, D, Bozdag, M.
登録日2017-11-28
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
8QKW
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Crystal structure of Levansucrase from Pseudomonas syringae in complex with a tetravalent iminosugar
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(hydroxymethyl)-1-[6-[4-[[3-[[3-[6-[(2~{S},3~{R},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxy]-2,2-bis[[1-[6-[2-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]hexyl]-1,2,3-triazol-4-yl]methoxymethyl]propoxy]methyl]-1,2,3-triazol-1-yl]hexyl]pyrrolidine-3,4-diol, DIMETHYL SULFOXIDE, ...
著者Ferraroni, M, Canovai, A.
登録日2023-09-18
公開日2024-10-02
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of Levansucrase from Pseudomonas syringae in complex with a tetravalent iminosugar
To Be Published
6FAF
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Crystal structure of human carbonic anhydrase I in complex with the 3-(2,5-dimethylphenyl)-1-(2-hydroxy-5-sulfamoylphenyl)urea inhibitor
分子名称: 1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea, Carbonic anhydrase 1, GLYCEROL, ...
著者Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D.
登録日2017-12-15
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
J. Med. Chem., 61, 2018
3T6V
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Crystal Structure of Laccase from Steccherinum ochraceum
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
登録日2011-07-29
公開日2012-04-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
3T71
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Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (90% dose)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
著者Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
登録日2011-07-29
公開日2012-04-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
6I0L
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BU of 6i0l by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor
分子名称: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ACETATE ION, Carbonic anhydrase 1, ...
著者Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D.
登録日2018-10-26
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.
Eur.J.Med.Chem., 182, 2019
1S9A
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BU of 1s9a by Molmil
Crystal Structure of 4-Chlorocatechol 1,2-dioxygenase from Rhodococcus opacus 1CP
分子名称: (1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE, BENZOIC ACID, Chlorocatechol 1,2-dioxygenase, ...
著者Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F.
登録日2004-02-04
公開日2004-06-01
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Crystal structure of 4-chlorocatechol 1,2-dioxygenase from the chlorophenol-utilizing gram-positive Rhodococcus opacus 1CP.
J.Biol.Chem., 279, 2004

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