5NXM
| Carbonic Anhydrase II Inhibitor RA1 | 分子名称: | 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-05-30 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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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 | 分子名称: | Carbonic anhydrase 2, SODIUM ION, ZINC ION, ... | 著者 | Peat, T.S, Mujumdar, P, Poulsen, S.A. | 登録日 | 2018-01-23 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | 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 | 分子名称: | 2-chloro-5'-O-sulfamoyladenosine, Carbonic anhydrase 2, SODIUM ION, ... | 著者 | Peat, T.S, Mujumdar, P, Poulsen, S.A. | 登録日 | 2018-01-23 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Synthesis, structure and bioactivity of primary sulfamate-containing natural products. Bioorg. Med. Chem. Lett., 28, 2018
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6CEH
| Design, Synthesis, X-ray and Biological Activities of Selenides Bearing the Benzenesulfonamide Moiety as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology | 分子名称: | 4-[(prop-2-en-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Peat, T.S, Angeli, A, di Cesare Mannelli, L, Trallori, E, Ghelardini, C, Carta, F, Supuran, C.T. | 登録日 | 2018-02-11 | 公開日 | 2018-05-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Design, Synthesis, and X-ray of Selenides as New Class of Agents for Prevention of Diabetic Cerebrovascular Pathology. ACS Med Chem Lett, 9, 2018
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6BBS
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with brinzolamide | 分子名称: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, Aggarwal, M, McKenna, R. | 登録日 | 2017-10-19 | 公開日 | 2018-02-28 | 最終更新日 | 2024-03-13 | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BCC
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with ethoxzolamide | 分子名称: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, McKenna, R, Aggarwal, M. | 登録日 | 2017-10-20 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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6BC9
| Joint X-ray/neutron structure of human carbonic anhydrase II in complex with dorzolamide | 分子名称: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Kovalevsky, A, McKenna, R, Aggarwal, M. | 登録日 | 2017-10-20 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | 主引用文献 | "To Be or Not to Be" Protonated: Atomic Details of Human Carbonic Anhydrase-Clinical Drug Complexes by Neutron Crystallography and Simulation. Structure, 26, 2018
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5Y2R
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5Y2S
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5WG7
| Human Carbonic Anhydrase II complexed with AceK | 分子名称: | Acesulfame, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | 登録日 | 2017-07-13 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
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5WGP
| Human Carbonic Anhydrase IX-mimic complexed with AceK | 分子名称: | Acesulfame, Carbonic anhydrase 2, ZINC ION | 著者 | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | 登録日 | 2017-07-14 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms. J. Med. Chem., 61, 2018
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6B4D
| Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | 分子名称: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, R. | 登録日 | 2017-09-26 | 公開日 | 2018-02-07 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.196 Å) | 主引用文献 | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors. ACS Med Chem Lett, 8, 2017
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5MSB
| Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2017-01-02 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5MSA
| Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2017-01-02 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase
isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide To be published
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5NXI
| Carbonic Anhydrase II Inhibitor RA2 | 分子名称: | 4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXO
| Carbonic Anhydrase II Inhibitor RA6 | 分子名称: | 4-[(4-nitrophenyl)methyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXV
| Carbonic Anhydrase II Inhibitor RA8 | 分子名称: | 2-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NY3
| Carbonic Anhydrase II Inhibitor RA11 | 分子名称: | 1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NYA
| Carbonic Anhydrase II Inhibitor RA13 | 分子名称: | Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NY1
| Carbonic Anhydrase II Inhibitor RA10 | 分子名称: | 3,6,7-trimethyl-~{N}-[(4-sulfamoylphenyl)methyl]-1-benzofuran-2-carboxamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NY6
| Carbonic Anhydrase II Inhibitor RA12 | 分子名称: | 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, Carbonic anhydrase 2, ... | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXG
| Carbonic Anhydrase II Inhibitor RA1 | 分子名称: | 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXP
| Carbonic Anhydrase II Inhibitor RA7 | 分子名称: | 2-[methyl(phenyl)amino]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-10 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXW
| Carbonic Anhydrase II Inhibitor RA9 | 分子名称: | 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | 登録日 | 2017-05-11 | 公開日 | 2018-01-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5N25
| Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-Pyridin-3-yl-benzenesulfonamide | 分子名称: | 4-pyridin-3-ylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. | 登録日 | 2017-02-07 | 公開日 | 2017-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Sulfonamide carbonic anhydrase inhibitors: Zinc coordination and tail effects influence inhibitory efficacy and selectivity for different isoforms Inorg.Chim.Acta., 470, 2018
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