3KWA
 
 | | 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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7QNV
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7QOB
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7QRK
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7QSE
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7QSI
 | | human Carbonic Anhydrase II in complex with indoline-1-sulfonamide | | Descriptor: | 2,3-dihydroindole-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-01-13 | | Release date: | 2023-01-25 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile.
J Enzyme Inhib Med Chem, 37, 2022
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7QZX
 | | Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide | | Descriptor: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-02-01 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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7R1X
 | | human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | Descriptor: | 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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1LUG
 | | Full Matrix Error Analysis of Carbonic Anhydrase | | Descriptor: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ... | | Authors: | Merritt, E.A, Le Trong, I, Behnke, C.A. | | Deposit date: | 2002-05-22 | | Release date: | 2003-09-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
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1MUA
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1OKN
 | | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)] | | Descriptor: | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W. | | Deposit date: | 1996-06-25 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor.
J.Am.Chem.Soc., 118, 1996
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1OKL
 | | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE | | Descriptor: | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Nair, S.K, Elbaum, D, Christianson, D.W. | | Deposit date: | 1996-06-25 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Unexpected binding mode of the sulfonamide fluorophore 5-dimethylamino-1-naphthalene sulfonamide to human carbonic anhydrase II. Implications for the development of a zinc biosensor.
J.Biol.Chem., 271, 1996
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1OKM
 | | CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | | Descriptor: | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | | Authors: | Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W. | | Deposit date: | 1996-06-25 | | Release date: | 1997-01-11 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor.
J.Am.Chem.Soc., 118, 1996
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1MOO
 | | Site Specific Mutant (H64A) of Human Carbonic Anhydrase II at high resolution | | Descriptor: | 4-METHYLIMIDAZOLE, Carbonic Anhydrase II, MERCURY (II) ION, ... | | Authors: | Duda, D.M, Govindasamy, L, Agbandje-McKenna, M, Tu, C.K, Silverman, D.N, McKenna, R. | | Deposit date: | 2002-09-09 | | Release date: | 2002-09-18 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | The refined atomic structure of carbonic anhydrase II at 1.05 A resolution: implications of chemical rescue of proton transfer.
Acta Crystallogr.,Sect.D, 59, 2003
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1OQ5
 | | CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR | | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION | | Authors: | Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. | | Deposit date: | 2003-03-07 | | Release date: | 2004-03-23 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.
J.Med.Chem., 47, 2004
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2F14
 | | Tne Crystal Structure of the Human Carbonic Anhydrase II in Complex with a Fluorescent Inhibitor | | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, 5-{[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONOTHIOYL]AMINO}-2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Alterio, V, Pedone, C, De Simone, G. | | Deposit date: | 2005-11-14 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX.
J.Am.Chem.Soc., 128, 2006
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2EU3
 | | Human Carbonic anhydrase II in complex with novel inhibitors | | Descriptor: | 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION | | Authors: | Fisher, S.Z, Govindasamy, L, Boyle, N, Agbandje-McKenna, M, Silverman, D.N, Blackburn, G.M, McKenna, R. | | Deposit date: | 2005-10-28 | | Release date: | 2006-07-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes.
Acta Crystallogr.,Sect.F, 62, 2006
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7RNZ
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7RNY
 | | Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative | | Descriptor: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Combs, J, McKenna, R. | | Deposit date: | 2021-07-30 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes.
J.Med.Chem., 65, 2022
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7RRE
 | | Carbonic Anhydrase II in complex with Beta-Galactose-2C | | Descriptor: | 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | McKenna, R, Combs, J.E. | | Deposit date: | 2021-08-09 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
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7RRF
 | | Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C | | Descriptor: | 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION | | Authors: | Combs, J.E, McKenna, R. | | Deposit date: | 2021-08-09 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C
To Be Published
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2FMG
 | | Carbonic anhydrase activators. Activation of isoforms I, II, IV, VA, VII and XIV with L- and D- phenylalanine and crystallographic analysis of their adducts with isozyme II: sterospecific recognition within the active site of an enzyme and its consequences for the drug design, structure with L-phenylalanine | | Descriptor: | Carbonic anhydrase 2, MERCURY (II) ION, PHENYLALANINE, ... | | Authors: | Temperini, C, Scozzafava, A, Vullo, D, Supuran, C.T. | | Deposit date: | 2006-01-09 | | Release date: | 2006-05-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, VA, VII, and XIV with l- and d-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition within the Active Site of an Enzyme and Its Consequences for the Drug Design.
J.Med.Chem., 49, 2006
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2FOQ
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2FOU
 | | Human Carbonic Anhydrase II complexed with two-prong inhibitors | | Descriptor: | COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ... | | Authors: | Jude, K.M, Christianson, D.W. | | Deposit date: | 2006-01-14 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
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2FOV
 | | Human Carbonic Anhydrase II complexed with two-prong inhibitors | | Descriptor: | ACETONITRILE, COPPER (II) ION, Carbonic Anhydrase II, ... | | Authors: | Jude, K.M, Christianson, D.W. | | Deposit date: | 2006-01-14 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
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