3MZC
| Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-05-12 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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6B5A
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6B4D
| Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | Descriptor: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | Deposit date: | 2017-09-26 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.196 Å) | Cite: | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors. ACS Med Chem Lett, 8, 2017
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6B59
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6C7W
| Carbonic anhydrase 2 in complex with [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE inhibitor | Descriptor: | Carbonic anhydrase 2, SODIUM ION, ZINC ION, ... | Authors: | Peat, T.S, Mujumdar, P, Poulsen, S.A. | Deposit date: | 2018-01-23 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Synthesis, structure and bioactivity of primary sulfamate-containing natural products. Bioorg. Med. Chem. Lett., 28, 2018
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6C7X
| Carbonic anhydrase 2 in complex with 2-chloro-5'-O-sulfamoyladenosine | Descriptor: | 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S, Mujumdar, P, Poulsen, S.A. | Deposit date: | 2018-01-23 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Synthesis, structure and bioactivity of primary sulfamate-containing natural products. Bioorg. Med. Chem. Lett., 28, 2018
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6CJV
| Carbonic anhydrase IX-mimic in complex with sucralose | Descriptor: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION | Authors: | Lomelino, C.L, Murray, A.B, McKenna, R. | Deposit date: | 2018-02-26 | Release date: | 2018-08-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.547 Å) | Cite: | Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose. ACS Med Chem Lett, 9, 2018
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6D2M
| Beta Carbonic anhydrase in complex with thiocyanate | Descriptor: | Carbonic anhydrase, IMIDAZOLE, ZINC ION | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2J
| Beta Carbonic anhydrase in complex with thiocyanate | Descriptor: | Carbonic anhydrase, POTASSIUM ION, THIOCYANATE ION, ... | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2N
| Beta Carbonic anhydrase in complex with a sulfonamide anion | Descriptor: | Carbonic anhydrase, ZINC ION, sulfuric diamide | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6D2O
| Beta Carbonic anhydrase in complex with 4-methylimidazole | Descriptor: | 4-METHYLIMIDAZOLE, Carbonic anhydrase, ZINC ION | Authors: | Murray, A, Aggarwal, M, Pinard, M, McKenna, R. | Deposit date: | 2018-04-13 | Release date: | 2018-09-05 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mapping of Anion Inhibitors to beta-Carbonic Anhydrase psCA3 from Pseudomonas aeruginosa. ChemMedChem, 13, 2018
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6EQU
| X-Ray crystal structure of the human carbonic anhydrase II adduct with a membrane-impermeant inhibitor | Descriptor: | 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2017-10-15 | Release date: | 2017-12-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2,4,6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor. J Enzyme Inhib Med Chem, 33, 2018
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