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8FR2	Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3h Descriptor: 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Combs, J.C, McKenna, R. Deposit date: 2023-01-06 Release date: 2023-02-01 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.307 Å) Cite: New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
4CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION Authors: Alexander, R.S, Christianson, D.W. Deposit date: 1991-06-08 Release date: 1992-10-31 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
1TEQ	Effect of Shuttle Location and pH Environment on H+ Transfer in Human Carbonic Anhydrase II Descriptor: Carbonic anhydrase II, HYDROXIDE ION, ZINC ION Authors: Fisher, Z, Hernandez Prada, J.A, Tu, C.K, Duda, D, Yoshioka, C, An, H, Govindasamy, L, Silverman, D.N, McKenna, R. Deposit date: 2004-05-25 Release date: 2005-01-25 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and Kinetic Characterization of Active-Site Histidine as a Proton Shuttle in Catalysis by Human Carbonic Anhydrase II Biochemistry, 44, 2005
6PDV	Cu-Carbonic Anhydrase II, A Nitrite Reductase Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ... Authors: Andring, J.T, McKenna, R. Deposit date: 2019-06-19 Release date: 2020-03-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase. Iucrj, 7, 2020
4HBA	Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION Authors: Boone, C.D, Habibzadegan, A, McKenna, R. Deposit date: 2012-09-27 Release date: 2013-07-31 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.762 Å) Cite: Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond. Acta Crystallogr.,Sect.D, 69, 2013
6NLV	Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Singh, S, McKenna, R. Deposit date: 2019-01-09 Release date: 2020-01-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.794 Å) Cite: Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
6NM0	Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines Descriptor: 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Singh, S, McKenna, R. Deposit date: 2019-01-10 Release date: 2020-01-15 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.44 Å) Cite: Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
1RJ6	Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV in Complex with Acetazolamide Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase XIV, ... Authors: Whittington, D.A, Grubb, J.H, Waheed, A, Shah, G.N, Sly, W.S, Christianson, D.W. Deposit date: 2003-11-18 Release date: 2004-03-09 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes. J.Biol.Chem., 279, 2004
6UFD	Carbonic anhydrase 2 with inhibitor (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide (11g/D7) Descriptor: (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide, CHLORIDE ION, Carbonic anhydrase 2, ... Authors: Peat, T.S. Deposit date: 2019-09-24 Release date: 2020-08-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J.Med.Chem., 63, 2020
6U4T	Carbonic anhydrase 9 in complex with SB4197 Descriptor: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION Authors: Murray, A.B, Lomelino, C.L, McKenna, R. Deposit date: 2019-08-26 Release date: 2020-01-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.356 Å) Cite: "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
6UFC	Carbonic anhydrase 2 with inhibitor (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide (11d/D4) Descriptor: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Peat, T.S. Deposit date: 2019-09-24 Release date: 2020-08-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.325 Å) Cite: Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J.Med.Chem., 63, 2020
6UFB	Carbonic anhydrase 2 with inhibitor (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide (11a/D1) Descriptor: (2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide, CHLORIDE ION, Carbonic anhydrase 2, ... Authors: Peat, T.S. Deposit date: 2019-09-24 Release date: 2020-08-05 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J.Med.Chem., 63, 2020
6Y04	Crystal structure of beta-carbonic anhydrase isoform I (TvaCA1) from the Trichomonas vaginalis protozoan. Descriptor: Carbonic anhydrase, ZINC ION Authors: Di Fiore, A, De Simone, G. Deposit date: 2020-02-06 Release date: 2020-07-08 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Biochemical and structural characterisation of a protozoan beta-carbonic anhydrase fromTrichomonas vaginalis. J Enzyme Inhib Med Chem, 35, 2020
4G0C	Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION Authors: Fisher, S.Z, McKenna, R, Aggarwal, M. Deposit date: 2012-07-09 Release date: 2012-09-19 Last modified: 2023-09-13 Method: NEUTRON DIFFRACTION (2 Å) Cite: Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J.Am.Chem.Soc., 134, 2012
8CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION Authors: Alexander, R.S, Christianson, D.W. Deposit date: 1991-07-09 Release date: 1992-07-15 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
6VJ3	Carbonic Anhydrase II in complex with pyrimidine-based inhibitor Descriptor: 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Lomelino, C.L, McKenna, R. Deposit date: 2020-01-14 Release date: 2020-03-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.35 Å) Cite: Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells. Eur.J.Med.Chem., 190, 2020
6OE0	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Peat, T.S. Deposit date: 2019-03-27 Release date: 2019-06-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6ODZ	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Peat, T.S. Deposit date: 2019-03-27 Release date: 2019-06-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6OE1	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Peat, T.S. Deposit date: 2019-03-27 Release date: 2019-06-12 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
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
6U4Q	Carbonic anhydrase 2 in complex with SB4197 Descriptor: 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION Authors: Murray, A.B, Lomelino, C.L, McKenna, R. Deposit date: 2019-08-26 Release date: 2020-01-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.306 Å) Cite: "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
1RJ5	Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ... Authors: Whittington, D.A, Grubb, J.H, Waheed, A, Shah, G.N, Sly, W.S, Christianson, D.W. Deposit date: 2003-11-18 Release date: 2004-03-09 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (2.81 Å) Cite: Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes. J.Biol.Chem., 279, 2004
4HF3	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure Descriptor: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION Authors: Aggarwal, M, McKenna, R. Deposit date: 2012-10-04 Release date: 2013-10-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.1476 Å) Cite: Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
4E5Q	Human Carbonic Anhydrase II in complex with cyanate Descriptor: Carbonic anhydrase 2, ZINC ION, cyanic acid Authors: West, D, McKenna, R. Deposit date: 2012-03-14 Release date: 2013-03-27 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.7024 Å) Cite: Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014
4E3G	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... Authors: Cohen, S.M, Martin, D.P. Deposit date: 2012-03-09 Release date: 2012-06-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.55 Å) Cite: Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48, 2012

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