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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
6UGQ	Human Carbonic Anhydrase IX-mimic complexed with SB4-206 Descriptor: 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION Authors: Murray, A.B, Lomelino, C.L, McKenna, R. Deposit date: 2019-09-26 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.305 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
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
6UH0	Human Carbonic Anhydrase 2 in complex with SB4-202 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: 2019-09-26 Release date: 2019-12-18 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
6UGR	Human Carbonic Anhydrase 2 complexed with SB4-208 Descriptor: 7-fluoro-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: 2019-09-26 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.307 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
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
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
6UGZ	Human Carbonic Anhydrase IX-mimic complexed with SB4-208 Descriptor: 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION Authors: Murray, A.B, Lomelino, C.L, McKenna, R. Deposit date: 2019-09-26 Release date: 2019-12-18 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
6UGN	Human Carbonic Anhydrase 2 complexed with SB4-205 Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION Authors: Murray, A.B, Supuran, C.T, McKenna, R. Deposit date: 2019-09-26 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.406 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
6SKT	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH0) Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ... Authors: Groves, M.R, Wang, W, van Oosterwijk, N. Deposit date: 2019-08-16 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Target diazotransfer reagents to label metalloenzymes To Be Published
6UGO	Human Carbonic Anhydrase IX-mimic complexed with SB4-205 Descriptor: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ... Authors: Murray, A.B, McKenna, R, Lomelino, C.L. Deposit date: 2019-09-26 Release date: 2019-12-18 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.457 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
6SG6	Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Heine, A, Klebe, G. Deposit date: 2019-08-02 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (0.98 Å) Cite: Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide To Be Published
6SG0	Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Heine, A, Klebe, G. Deposit date: 2019-08-02 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.13 Å) Cite: Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide To Be Published
6SKV	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH2) Descriptor: COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL, ... Authors: Groves, M.R, Wang, W, van Oosterwijk, N. Deposit date: 2019-08-16 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Target diazotransfer reagents to label metalloenzymes To Be Published
6T4O	Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide Descriptor: 3,5-dimethylbenzenesulfonamide, BICINE, DIMETHYL SULFOXIDE, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2019-10-14 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.133 Å) Cite: Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
6T5P	Human Carbonic anhydrase XII bound by 3,5-Di-tert-butylbenzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 3,5-di~{tert}-butylbenzenesulfonamide, Carbonic anhydrase 12, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2019-10-16 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
6T4P	Human Carbonic anhydrase II bound by napthalene-1-sulfonamide Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, SODIUM ION, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2019-10-14 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
6UGP	Human Carbonic Anhydrase 2 complexed with SB4-206 Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... Authors: Murray, A.B, Lomelino, C.L, McKenna, R. Deposit date: 2019-09-26 Release date: 2019-12-18 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
6UX1	Carbonic Anhydrase II Complexed with Salicylic Acid Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, ... Authors: Andring, J.T, Combs, J.E, McKenna, R. Deposit date: 2019-11-06 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.36 Å) Cite: Aspirin: A Suicide Inhibitor of Carbonic Anhydrase II. Biomolecules, 10, 2020
6T5Q	Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide Descriptor: 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ... Authors: Smirnov, A, Manakova, E, Grazulis, S. Deposit date: 2019-10-16 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
6TL5	Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide Descriptor: 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 9, ZINC ION Authors: Leitans, J, Tars, K. Deposit date: 2019-12-01 Release date: 2020-12-16 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.21 Å) Cite: Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle. Biophys.J., 119, 2020
6S9G	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Ngo, K, Heine, A, Klebe, G. Deposit date: 2019-07-12 Release date: 2020-04-15 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.14 Å) Cite: The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
6SDI	Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... Authors: Gloeckner, S, Haake, M, Heine, A, Klebe, G. Deposit date: 2019-07-27 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.03 Å) Cite: Human Carbonic Anhydrase II in complex with an inhibitor soaked at a concentration of 0.01 mM To Be Published
6SDS	HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... Authors: Alterio, V, De Simone, G, Esposito, D. Deposit date: 2019-07-29 Release date: 2020-06-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.26 Å) Cite: Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020

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