6HQX
| Human Carbonic Anhydrase II in complex with 4-Ethylbenzenesulfonamide | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2018-09-25 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.097 Å) | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6HR3
| Human Carbonic Anhydrase II in complex with 4-Propylbenzenesulfonamide | 分子名称: | 4-propylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2018-09-26 | 公開日 | 2019-10-09 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6NJ6
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6NJ5
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6NJ4
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6NJ3
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6NJ2
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6QL3
| Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BENZOIC ACID, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2019-01-31 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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6QL2
| Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide. | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2019-01-31 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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6QL1
| Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2019-01-31 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors. Sci Rep, 9, 2019
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6HZX
| Protein-aromatic foldamer complex crystal structure | 分子名称: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ... | 著者 | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | 登録日 | 2018-10-24 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | 主引用文献 | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
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6Q9T
| Protein-aromatic foldamer complex crystal structure | 分子名称: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ... | 著者 | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | 登録日 | 2018-12-18 | 公開日 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
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6RQW
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6RQN
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6RQQ
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6RW1
| Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea, Carbonic anhydrase 2, ZINC ION | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2019-06-03 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity. J Enzyme Inhib Med Chem, 34, 2019
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6RVL
| Crystal structure of hCA II with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-?N'-phenyl- | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1-benzoxaborol-1-ium-6-yl]-3-phenyl-thiourea, Carbonic anhydrase 2, ZINC ION | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2019-05-31 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity. J Enzyme Inhib Med Chem, 34, 2019
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6RVF
| Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-phenyl | 分子名称: | 1-[1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-6-yl]-3-phenyl-urea, Carbonic anhydrase 2, ZINC ION | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2019-05-31 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity. J Enzyme Inhib Med Chem, 34, 2019
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6RVK
| Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)- | 分子名称: | 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea, Carbonic anhydrase 2, ZINC ION | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2019-05-31 | 公開日 | 2019-08-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity. J Enzyme Inhib Med Chem, 34, 2019
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6HD2
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6PGX
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6IM1
| Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | 分子名称: | CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), TETRAETHYLENE GLYCOL, ... | 著者 | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | 登録日 | 2018-10-21 | 公開日 | 2019-07-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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6IM0
| Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | 分子名称: | BICARBONATE ION, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ... | 著者 | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | 登録日 | 2018-10-21 | 公開日 | 2019-07-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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6IM3
| Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ... | 著者 | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | 登録日 | 2018-10-22 | 公開日 | 2019-07-17 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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6H3Q
| Crystal structure of human carbonic anhydrase II in complex with the 4-(5-(chloromethyl)-1,3-selenazol-2-yl)benzenesulfonamide | 分子名称: | 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Ferraroni, M, Angeli, A, Supuran, C. | 登録日 | 2018-07-19 | 公開日 | 2019-07-17 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Discovery of new 2, 5-disubstituted 1,3-selenazoles as selective human carbonic anhydrase IX inhibitors with potent anti-tumor activity. Eur.J.Med.Chem., 157, 2018
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