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PDB: 156 件

4RH2
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BU of 4rh2 by Molmil
Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
分子名称: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M.
登録日2014-10-01
公開日2015-11-11
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
5CXK
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BU of 5cxk by Molmil
Crystal structure of beta carbonic anhydrase from Vibrio cholerae
分子名称: BICARBONATE ION, Carbonic anhydrase, ZINC ION
著者Ferraroni, M, Supuran, C.
登録日2015-07-29
公開日2015-12-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and kinetic studies of a tetrameric type II beta-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.
Acta Crystallogr.,Sect.D, 71, 2015
4WL4
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BU of 4wl4 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor
分子名称: 1,2-ETHANEDIOL, 6-hydroxy-2H-chromene-2-thione, Carbonic anhydrase 2, ...
著者Ferraroni, M.
登録日2014-10-06
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献New classes of carbonic anhydrase inhibitors
to be published
1SXS
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BU of 1sxs by Molmil
Reduced bovine superoxide dismutase at pH 5.0 complexed with thiocyanate
分子名称: CALCIUM ION, COPPER (II) ION, PROTEIN (CU-ZN SUPEROXIDE DISMUTASE), ...
著者Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Mangani, S.
登録日1998-09-24
公開日1998-09-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site
J.Biol.Inorg.Chem., 3, 1998
1SXZ
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BU of 1sxz by Molmil
Reduced bovine superoxide dismutase at pH 5.0 complexed with azide
分子名称: AZIDE ION, CALCIUM ION, COPPER (II) ION, ...
著者Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
登録日1998-09-22
公開日1998-09-30
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site
J.Biol.Inorg.Chem., 3, 1998
1SXN
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BU of 1sxn by Molmil
REDUCED BOVINE SUPEROXIDE DISMUTASE AT PH 5.0
分子名称: CALCIUM ION, COPPER (II) ION, CU, ...
著者Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
登録日1997-09-17
公開日1998-03-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site.
J.Biol.Inorg.Chem., 3, 1998
1TMX
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BU of 1tmx by Molmil
Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E
分子名称: 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, BENZOIC ACID, CHLORIDE ION, ...
著者Ferraroni, M, Travkin, V.M, Seifert, J, Schlomann, M, Golovleva, L, Scozzafava, A, Briganti, F.
登録日2004-06-11
公開日2005-03-22
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E, a key enzyme involved in polychlorinated aromatics biodegradation.
J.Biol.Chem., 280, 2005
1MFM
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BU of 1mfm by Molmil
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
3NJZ
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BU of 3njz by Molmil
Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with salicylate
分子名称: 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ...
著者Ferraroni, M, Briganti, F, Matera, I.
登録日2010-06-18
公開日2011-07-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.1 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
2BOY
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BU of 2boy by Molmil
Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP
分子名称: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 3-CHLOROCATECHOL 1,2-DIOXYGENASE, BENZHYDROXAMIC ACID, ...
著者Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F.
登録日2005-04-15
公開日2006-08-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of 3-chlorocatechol 1,2-dioxygenase key enzyme of a new modified ortho-pathway from the Gram-positive Rhodococcus opacus 1CP grown on 2-chlorophenol.
J. Mol. Biol., 360, 2006
4P1D
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BU of 4p1d by Molmil
Structure of the complex of a bimolecular human telomeric DNA with Coptisine
分子名称: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, POTASSIUM ION, telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P.
登録日2014-02-26
公開日2015-03-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal Structure of the complex of a bimolecular human telomeric DNA with Coptisine
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
5E2S
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BU of 5e2s by Molmil
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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BU of 5e2k by Molmil
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
2QT6
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BU of 2qt6 by Molmil
Crystal Structure Determination of a Blue Laccase from Lentinus Tigrinus
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, CALCIUM ION, ...
著者Ferraroni, M, Briganti, F, Scozzafava, A.
登録日2007-08-01
公開日2007-11-20
最終更新日2023-06-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of a blue laccase from Lentinus tigrinus: evidences for intermediates in the molecular oxygen reductive splitting by multicopper oxidases.
Bmc Struct.Biol., 7, 2007
7NEX
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BU of 7nex by Molmil
Crystal structure of alpha Carbonic anhydrase from Schistosoma mansoni bound to 1-(4-fluorophenyl)-3-(4-sulfamoylph enyl)thiourea
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, 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-02-05
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7NG1
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BU of 7ng1 by Molmil
Crystal structure of alpha Carbonic anhydrase from Schistoso ma mansoni bound to 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]selenourea
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, GLYCEROL, ...
著者Ferraroni, M, Angeli, A, Supuran, C.T.
登録日2021-02-08
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
5CCW
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BU of 5ccw by Molmil
Structure of the complex of a human telomeric DNA with Au(caffein-2-ylidene)2
分子名称: Au(caffein-2-ylidene)2, POTASSIUM ION, human telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Messori, L, Papi, F.
登録日2015-07-02
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Determinants for Tight and Selective Binding of a Medicinal Dicarbene Gold(I) Complex to a Telomeric DNA G-Quadruplex: a Joint ESI MS and XRD Investigation.
Angew.Chem.Int.Ed.Engl., 55, 2016
5CDB
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BU of 5cdb by Molmil
Structure of the complex of a bimolecular human telomeric DNA with a 13-diphenylalkyl Berberine derivative
分子名称: 13-diphenylalkyl Berberine, POTASSIUM ION, human telomeric DNA
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
登録日2015-07-03
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Solution and Solid-State Analysis of Binding of 13-Substituted Berberine Analogues to Human Telomeric G-quadruplexes.
Chem Asian J, 11, 2016
4D9Y
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BU of 4d9y by Molmil
The crystal structure of Chelerythrine bound to DNA d(CGTACG)
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2012-01-12
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of Chelerythrine bound to DNA d(CGTACG)
To be Published
4D9X
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BU of 4d9x by Molmil
The crystal structure of Coptisine bound to DNA d(CGTACG)
分子名称: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, CALCIUM ION, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3')
著者Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
登録日2012-01-12
公開日2013-01-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献The crystal structure of Coptisine bound to DNA d(CGTACG)
to be published
7BM4
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BU of 7bm4 by Molmil
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2024-01-31
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
4FPI
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BU of 4fpi by Molmil
Crystal Structure of 5-chloromuconolactone isomerase from Rhodococcus opacus 1CP
分子名称: 5-chloromuconolactone dehalogenase
著者Ferraroni, M, Kolomytseva, M, Briganti, F, Golovleva, L.A, Scozzafava, A.
登録日2012-06-22
公開日2013-04-24
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献X-ray crystallographic and molecular docking studies on a unique chloromuconolactone dehalogenase from Rhodococcus opacus 1CP.
J.Struct.Biol., 182, 2013
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
6FAG
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BU of 6fag by Molmil
Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea inhibitor
分子名称: 1-(2-methoxyphenyl)-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 (1.79 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

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