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3B4F
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BU of 3b4f by Molmil
Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
Descriptor: 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Guzel, o, Temperini, c, Innocenti, a, Scozzafava, A, Salman, a, Supuran, c.t.
Deposit date:2007-10-24
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Carbonic anhydrase inhibitors. Interaction of 2-(hydrazinocarbonyl)-3-phenyl-1H-indole-5-sulfonamide with 12 mammalian isoforms: kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 18, 2008
3DD8
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BU of 3dd8 by Molmil
Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD-486019 with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
Descriptor: 2-(cycloheptylmethyl)-1,1-dioxido-1-benzothiophen-6-yl sulfamate, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
Deposit date:2008-06-05
Release date:2008-08-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies
Bioorg.Med.Chem.Lett., 18, 2008
3EFI
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BU of 3efi by Molmil
Carbonic anhydrase activators: Kinetic and X-ray crystallographic study for the interaction of d- and l-tryptophan with the mammalian isoforms I-XIV
Descriptor: Carbonic anhydrase 2, MERCURIBENZOIC ACID, TRYPTOPHAN, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
Deposit date:2008-09-09
Release date:2008-09-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Carbonic anhydrase activators: kinetic and X-ray crystallographic study for the interaction of D- and L-tryptophan with the mammalian isoforms I-XIV
Bioorg.Med.Chem., 16, 2008
2Q1Q
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BU of 2q1q by Molmil
Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: kinetic and X-Ray crystallographic studies
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, SULTHIAME, ...
Authors:Temperini, C, Innocenti, A, Mastrolorenzo, A, Scozzafava, A, Supuran, C.T.
Deposit date:2007-05-25
Release date:2007-09-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbonic anhydrase inhibitors. Interaction of the antiepileptic drug sulthiame with twelve mammalian isoforms: Kinetic and X-ray crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
2IT4
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BU of 2it4 by Molmil
X ray structure of the complex between Carbonic Anhydrase I and the phosphonate antiviral drug foscarnet
Descriptor: Carbonic anhydrase 1, PHOSPHONOFORMIC ACID, ZINC ION
Authors:Temperini, C, Innocenti, A, Guerri, A, Scozzafava, A, Supuran, C.T.
Deposit date:2006-10-19
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.
Bioorg.Med.Chem.Lett., 17, 2007
2HKK
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BU of 2hkk by Molmil
Carbonic anhydrase activators: Solution and X-ray crystallography for the interaction of andrenaline with various carbonic anhydrase isoforms
Descriptor: Carbonic anhydrase 2, L-EPINEPHRINE, MERCURY (II) ION, ...
Authors:Temperini, C, Innocenti, A, Vullo, D, Scozzafava, A, Supuran, C.T.
Deposit date:2006-07-05
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbonic anhydrase activators: L-Adrenaline plugs the active site entrance of isozyme II, activating better isoforms I, IV, VA, VII, and XIV.
Bioorg.Med.Chem.Lett., 17, 2007
2GEH
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BU of 2geh by Molmil
N-Hydroxyurea, a versatile zinc binding function in the design of metalloenzyme inhibitors
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, N-HYDROXYUREA, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Supuran, C.T.
Deposit date:2006-03-20
Release date:2006-06-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-Hydroxyurea-A versatile zinc binding function in the design of metalloenzyme inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3IEO
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BU of 3ieo by Molmil
The coumarin-binding site in carbonic anhydrase: the antiepileptic lacosamide as an example
Descriptor: BENZOIC ACID, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Innocenti, A, Scozzafava, A, Parkkila, S, Supuran, C.T.
Deposit date:2009-07-23
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors
J.Med.Chem., 53, 2010
3NB5
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BU of 3nb5 by Molmil
Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide
Descriptor: 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Hofmann, A, Osman, A, Davis, R.A.
Deposit date:2010-06-02
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases
J.Med.Chem., 54, 2011
3M1K
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BU of 3m1k by Molmil
Carbonic Anhydrase in complex with fragment
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2010-03-05
Release date:2010-11-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry.
Chemmedchem, 5, 2010
3P4V
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BU of 3p4v by Molmil
Human carbonic anhydrase II in complex with (+)-Xylariamide A
Descriptor: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Nankervis, T, Davis, R.
Deposit date:2010-10-07
Release date:2011-04-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases.
J.Med.Chem., 54, 2011
2Q1B
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BU of 2q1b by Molmil
Carbonic Anhydrase II in Complex with Saccharin
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Klebe, G, Heine, A, Koehler, K.
Deposit date:2007-05-24
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
2Q38
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BU of 2q38 by Molmil
Carbonic Anhydrase II in complex with Saccharin at 1.95 Angstrom
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2007-05-30
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
3MNU
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BU of 3mnu by Molmil
Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron containing aromatic sulfamide with mammalian isoforms I-XV
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2010-04-22
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.
Bioorg.Med.Chem.Lett., 20, 2010
2QP6
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BU of 2qp6 by Molmil
The crystal structure of the complex of hcaII with a bioreductive antitumor derivative
Descriptor: 2-chloro-5-nitrobenzenesulfonamide, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2007-07-23
Release date:2008-06-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Carbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides with Selectivity for Targeting the Tumor Associated Isoforms IX and XII.
J.Med.Chem., 51, 2008
2H15
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BU of 2h15 by Molmil
Carbonic anhydrase inhibitors: Clashing with Ala65 as a means of designing isozyme-selective inhibitors that show low affinity for the ubiquitous isozyme II
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, N-{[(3AS,5AR,8AR,8BS)-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS[1,3]DIOXOLO[4,5-B:4',5'-D]PYRAN-3A-YL]METHYL}SULFAMIDE, ...
Authors:Winum, J.Y, Temperini, C, Ciattini, S, Scozzafava, A, Supuran, C.T.
Deposit date:2006-05-16
Release date:2007-03-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue.
J.Med.Chem., 49, 2006
3T82
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BU of 3t82 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3T84
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BU of 3t84 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3T85
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BU of 3t85 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3T83
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BU of 3t83 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose, 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose, Carbonic anhydrase 2, ...
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3HKN
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BU of 3hkn by Molmil
Human carbonic anhydrase II in complex with (2,3,4,6-Tetra-O-acetyl-beta-D-galactopyranosyl) -(1-4)-1,2,3,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosylsulfonamide
Descriptor: 2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose-(1-4)-(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKQ
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BU of 3hkq by Molmil
Human carbonic anhydrase II in complex with 1-S-D-Galactopyranosylsulfonamide
Descriptor: (1S)-1,5-anhydro-1-sulfamoyl-D-galactitol, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKU
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BU of 3hku by Molmil
Human carbonic anhydrase II in complex with topiramate
Descriptor: Carbonic anhydrase 2, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3HKT
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BU of 3hkt by Molmil
Human carbonic anhydrase II in complex with alpha-D-Glucopyranosyl-(1->4)-1-thio-beta-D-glucopyranosylsulfonamide
Descriptor: Carbonic anhydrase 2, ZINC ION, alpha-D-galactopyranose-(1-4)-(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
Authors:Paul, B, Poulsen, S.-A, Hofmann, A.
Deposit date:2009-05-25
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.
J.Med.Chem., 52, 2009
3KWA
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BU of 3kwa by Molmil
Polyamines inhibit carbonic anhydrases
Descriptor: Carbonic anhydrase 2, MERCURY (II) ION, SPERMINE, ...
Authors:Temperini, C.
Deposit date:2009-12-01
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule
J.Med.Chem., 53, 2010

 

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