PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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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
5SZ5	Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide 分子名称: 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. 登録日 2016-08-12 公開日 2016-12-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.274 Å) 主引用文献 Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
6RQQ	X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV. 分子名称: Carbonic anhydrase 9, FORMIC ACID, ZINC ION 著者 Fisher, Z, Koruza, K. 登録日 2019-05-16 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.276 Å) 主引用文献 Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX. Acta Crystallogr D Struct Biol, 75, 2019
7QNV	human carbonic anhydrase II bound to 3-methylbenzoselenoate 分子名称: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-12-22 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.278 Å) 主引用文献 Benzoselenoates: A novel class of carbonic anhydrase inhibitors. Bioorg.Chem., 122, 2022
6YHC	Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-03-28 公開日 2021-04-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
7NH6	Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide 分子名称: 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2021-02-10 公開日 2022-02-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors. J.Med.Chem., 64, 2021
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
5G0C	An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. 登録日 2016-03-17 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
8BJX	Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide 分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-11-08 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.283 Å) 主引用文献 Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide To Be Published
7NZR	Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide 分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-03-24 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.284 Å) 主引用文献 Crystal structure of chimeric carbonic anhydrase VA To Be Published
7JNX	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide 分子名称: 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.286 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7JNZ	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.289 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
7RNY	Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative 分子名称: 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J, McKenna, R. 登録日 2021-07-30 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.29 Å) 主引用文献 One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes. J.Med.Chem., 65, 2022
7JNW	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)isobutyramide 分子名称: 2-methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.292 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
8SD1	Carbonic anhydrase II radiation damage RT 1-30 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.C, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.298 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
5DSK	Structure of CO2 released holo-form of human carbonic anhydrase II with 3 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6YH4	Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide 分子名称: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-03-28 公開日 2021-04-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
5DSM	Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR	Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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
5E28	Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor 分子名称: 4'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T. 登録日 2015-09-30 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. J.Med.Chem., 59, 2016
6OE0	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects 分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S. 登録日 2019-03-27 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6ODZ	Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects 分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S. 登録日 2019-03-27 公開日 2019-06-12 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects. Eur.J.Med.Chem., 177, 2019
6GCY	Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic (saccharin-sugar conjugate complex) 分子名称: Carbonic anhydrase 2, ZINC ION, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside 著者 Fisher, S.Z, Koruza, K. 登録日 2018-04-20 公開日 2019-02-06 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (1.3 Å), X-RAY DIFFRACTION 主引用文献 Using neutron crystallography to elucidate the basis of selective inhibition of carbonic anhydrase by saccharin and a derivative. J. Struct. Biol., 205, 2019
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

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