5TH4
| |
5TI0
| Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | 分子名称: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Dick, B, Cohen, S. | 登録日 | 2016-09-30 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
|
|
5M78
| Human Carbonic Anhydrase II in complex with fragment-like inhibitor. | 分子名称: | 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Gloeckner, S, Heine, A, Klebe, G. | 登録日 | 2016-10-27 | 公開日 | 2017-12-20 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.077 Å) | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II. Biomolecules, 10, 2020
|
|
5TT3
| |
5TT8
| Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with benzolamide | 分子名称: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ... | 著者 | Modak, J.K, Roujeinikova, A. | 登録日 | 2016-11-02 | 公開日 | 2017-09-13 | 最終更新日 | 2024-10-16 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase. J. Med. Chem., 59, 2016
|
|
5TUO
| Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor. | 分子名称: | 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | 著者 | Modak, J.K, Roujeinikova, A. | 登録日 | 2016-11-06 | 公開日 | 2017-09-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase. J. Med. Chem., 59, 2016
|
|
5TV3
| Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide | 分子名称: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ... | 著者 | Modak, J.K, Roujeinikova, A. | 登録日 | 2016-11-07 | 公開日 | 2017-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase. J. Med. Chem., 59, 2016
|
|
5TXY
| Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase | 分子名称: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ... | 著者 | Ren, B, Peat, T.S, Poulsen, S.-A. | 登録日 | 2016-11-17 | 公開日 | 2017-08-30 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.206 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5TY1
| |
5TY9
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-18 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5TYA
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-phenyl-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-18 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5TY8
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-18 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5U0G
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5U0F
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, Carbonic anhydrase 2, ZINC ION | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5U0E
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5U0D
| Identification of a New Zinc Binding Chemotype by Fragment Screening | 分子名称: | (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | 登録日 | 2016-11-23 | 公開日 | 2017-08-30 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
5MJN
| |
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
|
|
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 | 2024-10-09 | 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
|
|
5ULN
| Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography | 分子名称: | 4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F. | 登録日 | 2017-01-25 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
5UMC
| Synthesis of novel seleno ureido containing compounds as SLC-0111 analogs. Investigations on carbonic anhydrases activity, glutathione peroxidase and X-ray crystallography | 分子名称: | Carbonic anhydrase 2, GLYCEROL, UNKNOWN LIGAND, ... | 著者 | Peat, T.S, Angeli, A, Tanini, D, Bartolucci, G, Capperucci, A, Supuran, C.T, Carta, F. | 登録日 | 2017-01-26 | 公開日 | 2017-12-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Discovery of New Selenoureido Analogues of 4-(4-Fluorophenylureido)benzenesulfonamide as Carbonic Anhydrase Inhibitors. ACS Med Chem Lett, 8, 2017
|
|
5N0D
| Crystal structure of human carbonic anhydrase II in complex with (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | 分子名称: | (R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2017-02-02 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides. J. Med. Chem., 60, 2017
|
|
5N0E
| Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide. | 分子名称: | 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2017-02-02 | 公開日 | 2017-05-10 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides. J. Med. Chem., 60, 2017
|
|
5N1S
| Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(1H-Indol-2-yl)-benzenesulfonamide | 分子名称: | 4-(1~{H}-indol-2-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. | 登録日 | 2017-02-06 | 公開日 | 2017-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 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
|
|
5N1R
| Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4'-Pyrazol-1-ylmethyl-biphenyl-4-sulfonamide | 分子名称: | 4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T, Scozzafava, A, Carta, F. | 登録日 | 2017-02-06 | 公開日 | 2017-12-27 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 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
|
|