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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
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
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
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
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
4P1D
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BU of 4p1d by Molmil
Structure of the complex of a bimolecular human telomeric DNA with Coptisine
Descriptor: 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
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P.
Deposit date:2014-02-26
Release date:2015-03-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure of the complex of a bimolecular human telomeric DNA with Coptisine
to be published
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
Descriptor: 13-diphenylalkyl Berberine, POTASSIUM ION, human telomeric DNA
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P, Papi, F.
Deposit date:2015-07-03
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Solution and Solid-State Analysis of Binding of 13-Substituted Berberine Analogues to Human Telomeric G-quadruplexes.
Chem Asian J, 11, 2016
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
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
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
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
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
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
5CXK
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BU of 5cxk by Molmil
Crystal structure of beta carbonic anhydrase from Vibrio cholerae
Descriptor: BICARBONATE ION, Carbonic anhydrase, ZINC ION
Authors:Ferraroni, M, Supuran, C.
Deposit date:2015-07-29
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
5EOI
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BU of 5eoi by Molmil
Crystal structure of copper bound human Carbonic anhydrase II
Descriptor: CHLORIDE ION, COPPER (II) ION, Carbonic anhydrase 2, ...
Authors:Ferraroni, M, Scozzafava, A, Supuran, C.T.
Deposit date:2015-11-10
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of copper bound human Carbonic anhydrase II
to be published
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
4L5K
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BU of 4l5k by Molmil
Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
Descriptor: 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium, DNA (5'-D(*CP*GP*AP*TP*CP*G)-3')
Authors:Ferraroni, M, Bazzicalupi, C, Gratteri, P.
Deposit date:2013-06-11
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Crystal structure of the complex of DNA hexamer d(CGATCG) with Coptisine
to be published
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
5NEE
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BU of 5nee by Molmil
Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide
Descriptor: 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
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 (1.7 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
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
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

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