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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
Descriptor: 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, ...
Authors:Ferraroni, M.
Deposit date:2014-10-01
Release date:2015-11-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
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
Descriptor: 1,2-ETHANEDIOL, 6-hydroxy-2H-chromene-2-thione, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2014-10-06
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
2BOY
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BU of 2boy by Molmil
Crystal structure of 3-ChloroCatechol 1,2-Dioxygenase from Rhodococcus Opacus 1CP
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, 3-CHLOROCATECHOL 1,2-DIOXYGENASE, BENZHYDROXAMIC ACID, ...
Authors:Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F.
Deposit date:2005-04-15
Release date:2006-08-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
4D9Y
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BU of 4d9y by Molmil
The crystal structure of Chelerythrine bound to DNA d(CGTACG)
Descriptor: 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')
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
Deposit date:2012-01-12
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of Chelerythrine bound to DNA d(CGTACG)
To be Published
1TMX
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BU of 1tmx by Molmil
Crystal structure of hydroxyquinol 1,2-dioxygenase from Nocardioides Simplex 3E
Descriptor: 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE, BENZOIC ACID, CHLORIDE ION, ...
Authors:Ferraroni, M, Travkin, V.M, Seifert, J, Schlomann, M, Golovleva, L, Scozzafava, A, Briganti, F.
Deposit date:2004-06-11
Release date:2005-03-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
4FPI
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BU of 4fpi by Molmil
Crystal Structure of 5-chloromuconolactone isomerase from Rhodococcus opacus 1CP
Descriptor: 5-chloromuconolactone dehalogenase
Authors:Ferraroni, M, Kolomytseva, M, Briganti, F, Golovleva, L.A, Scozzafava, A.
Deposit date:2012-06-22
Release date:2013-04-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray crystallographic and molecular docking studies on a unique chloromuconolactone dehalogenase from Rhodococcus opacus 1CP.
J.Struct.Biol., 182, 2013
4D9X
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BU of 4d9x by Molmil
The crystal structure of Coptisine bound to DNA d(CGTACG)
Descriptor: 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')
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R.
Deposit date:2012-01-12
Release date:2013-01-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The crystal structure of Coptisine bound to DNA d(CGTACG)
to be published
2QT6
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BU of 2qt6 by Molmil
Crystal Structure Determination of a Blue Laccase from Lentinus Tigrinus
Descriptor: 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, ...
Authors:Ferraroni, M, Briganti, F, Scozzafava, A.
Deposit date:2007-08-01
Release date:2007-11-20
Last modified:2023-06-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
1MFM
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BU of 1mfm by Molmil
MONOMERIC HUMAN SOD MUTANT F50E/G51E/E133Q AT ATOMIC RESOLUTION
Descriptor: CADMIUM ION, CHLORIDE ION, COPPER (II) ION, ...
Authors:Ferraroni, M, Rypniewski, W, Wilson, K.S, Orioli, P.L, Viezzoli, M.S, Banci, L, Bertini, I, Mangani, S.
Deposit date:1999-04-16
Release date:1999-04-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:The crystal structure of the monomeric human SOD mutant F50E/G51E/E133Q at atomic resolution. The enzyme mechanism revisited.
J.Mol.Biol., 288, 1999
3T6X
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BU of 3t6x by Molmil
Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (20% dose)
Descriptor: 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, ...
Authors:Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
Deposit date:2011-07-29
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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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BU of 3t71 by Molmil
Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (90% dose)
Descriptor: 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, ...
Authors:Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
Deposit date:2011-07-29
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
3T6V
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BU of 3t6v by Molmil
Crystal Structure of Laccase from Steccherinum ochraceum
Descriptor: 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, ...
Authors:Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
Deposit date:2011-07-29
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
3T6Z
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BU of 3t6z by Molmil
Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (60% dose)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, GLYCEROL, ...
Authors:Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
Deposit date:2011-07-29
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
3T6W
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BU of 3t6w by Molmil
Crystal Structure of Steccherinum ochraceum Laccase obtained by multi-crystals composite data collection technique (10% dose)
Descriptor: 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, ...
Authors:Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
Deposit date:2011-07-29
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite: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
4FAG
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BU of 4fag by Molmil
Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant in complex with gentisate
Descriptor: 2,5-dihydroxybenzoic acid, FE (III) ION, GLYCEROL, ...
Authors:Ferraroni, M, Briganti, F, Matera, I.
Deposit date:2012-05-22
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 4fah by Molmil
Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans A85H mutant
Descriptor: FE (III) ION, Gentisate 1,2-dioxygenase
Authors:Ferraroni, M, Briganti, F, Matera, I.
Deposit date:2012-05-22
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 4fbf by Molmil
Crystal Structure of the Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans W104Y mutant
Descriptor: FE (III) ION, Gentisate 1,2-dioxygenase
Authors:Ferraroni, M, Briganti, F, Matera, I.
Deposit date:2012-05-23
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
4KUY
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BU of 4kuy by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(o-tolylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
Descriptor: 5-({[(2-methylphenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
4KUV
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BU of 4kuv by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 5-(3-(4-chlorophenylsulfonyl)ureido)pyridine-2-sulfonamide inhibitor
Descriptor: 5-({[(4-chlorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: 5-({[(4-fluorophenyl)sulfonyl]carbamoyl}amino)pyridine-2-sulfonamide, BETA-MERCAPTOETHANOL, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2013-05-22
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite: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
Descriptor: CALCIUM ION, COPPER (II) ION, PROTEIN (CU-ZN SUPEROXIDE DISMUTASE), ...
Authors:Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Mangani, S.
Deposit date:1998-09-24
Release date:1998-09-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: AZIDE ION, CALCIUM ION, COPPER (II) ION, ...
Authors:Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
Deposit date:1998-09-22
Release date:1998-09-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: CALCIUM ION, COPPER (II) ION, CU, ...
Authors:Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Wilson, K.S, Mangani, S.
Deposit date:1997-09-17
Release date:1998-03-18
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
1S9A
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BU of 1s9a by Molmil
Crystal Structure of 4-Chlorocatechol 1,2-dioxygenase from Rhodococcus opacus 1CP
Descriptor: (1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE, BENZOIC ACID, Chlorocatechol 1,2-dioxygenase, ...
Authors:Ferraroni, M, Solyanikova, I.P, Kolomytseva, M.P, Scozzafava, A, Golovleva, L.A, Briganti, F.
Deposit date:2004-02-04
Release date:2004-06-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of 4-chlorocatechol 1,2-dioxygenase from the chlorophenol-utilizing gram-positive Rhodococcus opacus 1CP.
J.Biol.Chem., 279, 2004
5NEA
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BU of 5nea by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide
Descriptor: 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Ferraroni, M, Supuran, C.T, Krasavin, M.
Deposit date:2017-03-10
Release date:2017-12-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads.
Bioorg. Med. Chem., 25, 2017

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