PDB: 1333 件ウェブページステータス検索Chemie searchBIRD

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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
7QOB	Human Carbonic Anhydrase I in complex with benzoselenoate 分子名称: Carbonic anhydrase 1, ZINC ION, benzoselenoate 著者 Angeli, A, Ferraroni, M. 登録日 2021-12-23 公開日 2023-01-18 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Benzoselenoates: A novel class of carbonic anhydrase inhibitors. Bioorg.Chem., 122, 2022
7QRK	Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide 分子名称: Carbonic anhydrase 2, GLYCEROL, N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-01-11 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.428 Å) 主引用文献 Human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylphenethyl)amino)ethyl)amino)benzamide To Be Published
7QSE	human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-01-13 公開日 2023-01-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.428 Å) 主引用文献 human Carbonic Anhydrase II in complex with N-(2-aminophenyl)-4-((2-oxo-2-((4-sulfamoylbenzyl)amino)ethyl)amino)benzamide To Be Published
7QSI	human Carbonic Anhydrase II in complex with indoline-1-sulfonamide 分子名称: 2,3-dihydroindole-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-01-13 公開日 2023-01-25 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.304 Å) 主引用文献 Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile. J Enzyme Inhib Med Chem, 37, 2022
7QZX	Human Carbonic Anhydrase II in complex with 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide 分子名称: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-02-01 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.24 Å) 主引用文献 Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
7R1X	human Carbonic Anhydrase II 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: 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-02-03 公開日 2023-02-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Development of Praziquantel sulphonamide derivatives as antischistosomal drugs. J Enzyme Inhib Med Chem, 37, 2022
7RRF	Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C 分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, McKenna, R. 登録日 2021-08-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
7RRE	Carbonic Anhydrase II in complex with Beta-Galactose-2C 分子名称: 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, GLYCEROL, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-08-09 公開日 2022-08-24 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
7RNZ	Carbonic Anhydrase II in complex with 4-ureido benzenesulfonamide derivative 分子名称: 4-[(methylcarbamoyl)amino]benzene-1-sulfonamide, AZIDE ION, Carbonic anhydrase 2, ... 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 (1.3 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
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
7SUY	Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUW	Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.456 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV1	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.559 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV8	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.388 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7U5W	Crystal Structure Analysis of human Carbonic anhydrase 2 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2022-03-02 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Crystal Structure Analysis of human Carbonic anhydrase 2 To Be Published
7U5X	Crystal Structure Analysis of human Carbonic anhydrase 2 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Seo, H.-S, Dhe-Paganon, S. 登録日 2022-03-02 公開日 2023-03-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Crystal Structure Analysis of human Carbonic anhydrase 2 To Be Published
5WLR	Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide 分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ... 著者 Lomelino, C.L, Andring, J.T, McKenna, R. 登録日 2017-07-27 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs To Be Published
5W8B	Carbonic anhydrase II in complex with activating histamine pyridinium derivative 分子名称: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ... 著者 Bhatt, A, Ilies, M, McKenna, R. 登録日 2017-06-21 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function. Mol. Neurobiol., 55, 2018
5WLT	Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide 分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Lomelino, C.L, Andring, J.T, McKenna, R. 登録日 2017-07-27 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
5Y2R	2.5 atm CO2-pressurized human carbonic anhydrase II 分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kim, C.U, Park, S.Y. 登録日 2017-07-27 公開日 2018-02-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
5Y2S	7.0 atm CO2-pressurized human carbonic anhydrase II 分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kim, C.U, Park, S.Y. 登録日 2017-07-27 公開日 2018-02-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.9 Å) 主引用文献 Active-site solvent replenishment observed during human carbonic anhydrase II catalysis. IUCrJ, 5, 2018
5YUK	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 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
5YUI	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.2 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
5YUJ	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.25 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

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