6T5Q
 
 | | Human Carbonic anhydrase XII bound by 3,5-diphenylbenzenesulfonamide | | 分子名称: | 1,2-ETHANEDIOL, 3,5-diphenylbenzenesulfonamide, Carbonic anhydrase 12, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2019-10-16 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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6T81
 | | Human Carbonic anhydrase II bound by 2-Naphthalenesulfonamide. | | 分子名称: | AZIDE ION, BICINE, SODIUM ION, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2019-10-23 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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6T4N
 | | Human Carbonic anhydrase II bound by 2,4,6-trimethylbenzenesulfonamide | | 分子名称: | 2,4,6-trimethylbenzenesulfonamide, 2-piperazin-1-ylethanol, BICINE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2019-10-14 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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6T5C
 | | Human Carbonic anhydrase II bound by anthracene-9-sulfonamide | | 分子名称: | BICINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | | 登録日 | 2019-10-15 | | 公開日 | 2020-10-14 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
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4LP6
 | | Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer | | 分子名称: | 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ZINC ION | | 著者 | Buratto, J, Granier, T, Langlois D'estaintot, B, Huc, I, Gallois, B. | | 登録日 | 2013-07-15 | | 公開日 | 2013-10-23 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 angstrom resolution.
Angew.Chem.Int.Ed.Engl., 53, 2014
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6TL5
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1T75
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7YZH
 | | Schistosoma Mansoni Carbonic Anhydrase in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase, ... | | 著者 | Angeli, A, Ferraroni, M. | | 登録日 | 2022-02-20 | | 公開日 | 2023-03-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Development of Praziquantel sulphonamide derivatives as antischistosomal drugs.
J Enzyme Inhib Med Chem, 37, 2022
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2GD8
 | | Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate | | 分子名称: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ... | | 著者 | De Simone, G, Di Fiore, A. | | 登録日 | 2006-03-15 | | 公開日 | 2007-02-06 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
J.Med.Chem., 49, 2006
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4MFG
 | | 2.0 Angstrom Resolution Crystal Structure of Putative Carbonic Anhydrase from Clostridium difficile. | | 分子名称: | MAGNESIUM ION, NICKEL (II) ION, Putative acyltransferase | | 著者 | Minasov, G, Wawrzak, Z, Kudritska, M, Grimshaw, S, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-08-27 | | 公開日 | 2013-09-04 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | 2.0 Angstrom Resolution Crystal Structure of Putative Carbonic Anhydrase from Clostridium difficile.
TO BE PUBLISHED
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2HKH
 | | Crystal structure of the Fab M75 | | 分子名称: | GLYCEROL, Immunoglobulin Heavy chain Fab fragment, Immunoglobulin Light chain Fab fragment | | 著者 | Kral, V, Mader, P, Stouracova, R, Fabry, M, Sedlacek, J, Brynda, J. | | 登録日 | 2006-07-04 | | 公開日 | 2007-11-13 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Stabilization of antibody structure upon association to a human carbonic anhydrase IX epitope studied by X-ray crystallography, microcalorimetry, and molecular dynamics simulations.
Proteins, 71, 2008
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3VQJ
 | | Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase | | 分子名称: | Carbonyl sulfide hydrolase, SODIUM ION, ZINC ION | | 著者 | Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M. | | 登録日 | 2012-03-24 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes
J.Am.Chem.Soc., 135, 2013
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3VRK
 | | Crystal Structutre of Thiobacillus thioparus THI115 Carbonyl Sulfide Hydrolase / Thiocyanate complex | | 分子名称: | Carbonyl sulfide hydrolase, SODIUM ION, THIOCYANATE ION, ... | | 著者 | Katayama, Y, Noguchi, K, Ogawa, T, Ohtaki, A, Odaka, M, Yohda, M. | | 登録日 | 2012-04-11 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Carbonyl Sulfide Hydrolase from Thiobacillus thioparus Strain THI115 Is One of the beta-Carbonic Anhydrase Family Enzymes
J.Am.Chem.Soc., 135, 2013
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7PNL
 | | Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine | | 分子名称: | 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION | | 著者 | Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A. | | 登録日 | 2021-09-07 | | 公開日 | 2022-09-21 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition.
J Enzyme Inhib Med Chem, 39, 2024
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8EV1
 | | Dual Modulators | | 分子名称: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | | 著者 | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | 登録日 | 2022-10-19 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
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8EV2
 | | Dual Modulators | | 分子名称: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (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, Estrogen receptor, ... | | 著者 | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | 登録日 | 2022-10-19 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
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8P6U
 | | Human carbonic anhydrase II containing 5-fluorotryptophanes | | 分子名称: | BENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | | 著者 | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | | 登録日 | 2023-05-30 | | 公開日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Controlling the incorporation of fluorinated amino acids in human cells and its structural impact.
Protein Sci., 33, 2024
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5THJ
 | | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 | | 分子名称: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | | 著者 | Dick, B, Cohen, S. | | 登録日 | 2016-09-29 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
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5THI
 | | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | | 分子名称: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | | 著者 | Dick, B, Cohen, S. | | 登録日 | 2016-09-29 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
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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
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5THN
 | | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 | | 分子名称: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ... | | 著者 | Dick, B, Cohen, S. | | 登録日 | 2016-09-29 | | 公開日 | 2017-04-26 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
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5TH4
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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
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5L3O
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | 登録日 | 2016-05-24 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
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5L6K
 | | Crystal Structure of Human Carbonic Anhydrase II in Complex with a Quinoline Oligoamide Foldamer | | 分子名称: | Aromatic foldamer, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Jewginski, M, Langlois d'Estaintot, B, Granier, T, Huc, Y. | | 登録日 | 2016-05-30 | | 公開日 | 2017-03-01 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Self-Assembled Protein-Aromatic Foldamer Complexes with 2:3 and 2:2:1 Stoichiometries.
J. Am. Chem. Soc., 139, 2017
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