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2NNG
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BU of 2nng by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NNS
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BU of 2nns by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NN1
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BU of 2nn1 by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 1, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
2NNO
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BU of 2nno by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2NMX
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BU of 2nmx by Molmil
Structure of inhibitor binding to Carbonic Anhydrase I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 1, N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-23
Release date:2007-04-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II
J.Am.Chem.Soc., 129, 2007
2NNV
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BU of 2nnv by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE, GLYCEROL, ...
Authors:Christianson, D.W, Jude, K.M.
Deposit date:2006-10-24
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II.
J.Am.Chem.Soc., 129, 2007
2OSM
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BU of 2osm by Molmil
Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study
Descriptor: 2-MERCAPTOPHENOL, Carbonic anhydrase 2, ZINC ION
Authors:Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-Mckenna, M, McKenna, R, Tripp, B.C.
Deposit date:2007-02-06
Release date:2008-02-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study.
Biochemistry, 47, 2008
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
2POU
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BU of 2pou by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide
Descriptor: 4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
2POW
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BU of 2pow by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
Descriptor: 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
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
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
2POV
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BU of 2pov by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide
Descriptor: 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
3HFP
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BU of 3hfp by Molmil
Crystal structure of teh complex between CA II and the activator MAI
Descriptor: 1-[2-(1H-imidazol-4-yl)ethyl]-2,4,6-trimethylpyridinium, Carbonic anhydrase 2, MERCURY (II) ION, ...
Authors:Temperini, C, Supuran, C.T.
Deposit date:2009-05-12
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:Crystal structure of teh complex between CA II and the activator MAI
To be Published
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
3IGP
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BU of 3igp by Molmil
Structure of inhibitor binding to Carbonic Anhydrase II
Descriptor: 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A.
Deposit date:2009-07-28
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies.
J.Med.Chem., 2010
3IBL
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BU of 3ibl by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IBI
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BU of 3ibi by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IAI
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BU of 3iai by Molmil
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 9, ...
Authors:Alterio, V, Di Fiore, A, De Simone, G.
Deposit date:2009-07-14
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IBN
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BU of 3ibn by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic bis-sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-16
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
3IBU
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BU of 3ibu by Molmil
The crystal structure of the human carbonic anhydrase II in complex with an aliphatic sulfamate inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, CHLORIDE ION, Carbonic anhydrase 2, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2009-07-17
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J.Med.Chem., 52, 2009
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
3K34
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BU of 3k34 by Molmil
Human carbonic anhydrase II with a sulfonamide inhibitor
Descriptor: (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Behnke, C.A, Le Trong, I, Merritt, E.A, Teller, D.C, Stenkamp, R.E.
Deposit date:2009-10-01
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.9 Å)
Cite:Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
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

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