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6KLZ	Human Carbonic Anhydrase II V143I variant 00 atm CO2 Descriptor: BICARBONATE ION, Carbonic anhydrase 2, GLYCEROL, ... Authors: Kim, C.U, Kim, J.K. Deposit date: 2019-07-30 Release date: 2020-08-12 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (0.9 Å) Cite: Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
6SEY	Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(4-oxidanylbutyl)benzenesulfonamide, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Ngo, K, Heine, A, Klebe, G. Deposit date: 2019-07-30 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.23 Å) Cite: Human Carbonic Anhydrase II in complex with aliphatically substituted benzenesulfonamide To Be Published
6SFU	Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)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 (1.04 Å) Cite: Human Carbonic Anhydrase II in complex with a furan-containing benzenesulfonamide To Be Published
6SFQ	Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ... Authors: Gloeckner, S, Ngo, K, Heine, A, Klebe, G. Deposit date: 2019-08-02 Release date: 2020-08-26 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1 Å) Cite: Atomic resolution structure of human Carbonic Anhydrase II in complex with (R)-5-phenyloxazolidine-2,4-dione To Be Published
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
6SKS	Crystal structure of bovine carbonic anhydrase II in complex with a benzenesulfonamide-based ligand (SH1) 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
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
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
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
6SWM	selenol bound carbonic anhydrase I Descriptor: (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol, Carbonic anhydrase 1, ZINC ION Authors: Angeli, A, Ferraroni, M. Deposit date: 2019-09-22 Release date: 2020-10-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.77 Å) Cite: Selenols: a new class of carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 55, 2019
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
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
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
6SX9	Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Descriptor: 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2019-09-25 Release date: 2020-10-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.43 Å) Cite: Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide To Be Published
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
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
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
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
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
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
6SYB	Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide Descriptor: (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2019-09-27 Release date: 2020-10-07 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide To Be Published
6SYS	Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 Descriptor: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ... Authors: Angeli, A, Ferraroni, M. Deposit date: 2019-10-01 Release date: 2020-10-14 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2 To Be Published

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