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PDB: 110 件

7OK8
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BU of 7ok8 by Molmil
Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
分子名称: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-05-17
公開日2022-06-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7BFA
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BU of 7bfa by Molmil
4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-02
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BG5
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BU of 7bg5 by Molmil
4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-05
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.428 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BHH
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4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Angeli, A, Ferraroni, M.
登録日2021-01-11
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7QRK
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BU of 7qrk by Molmil
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
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BU of 7qse by Molmil
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
7ORP
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BU of 7orp by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ORQ
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BU of 7orq by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
分子名称: 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2021-06-06
公開日2022-06-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ASJ
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BU of 7asj by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 3-(3-methyl-3-phenethylureido)benzenesulfonamide
分子名称: 3-(3-methyl-3-phenethylureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2020-10-27
公開日2021-11-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.43 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
7QZX
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BU of 7qzx by Molmil
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
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BU of 7r1x by Molmil
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
6XWZ
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BU of 6xwz by Molmil
Carbonic Anhydrase II-mediated hydrolysis of selenolester
分子名称: GLYCEROL, ZINC ION, benzeneselenol, ...
著者Angeli, A, Feraroni, M.
登録日2020-01-24
公開日2021-02-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Selenolesterase enzyme activity of carbonic anhydrases
Chem.Commun.(Camb.), 2020
6YPW
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BU of 6ypw by Molmil
Crystal structure for the complex of human carbonic anhydrase II and 4-((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)methoxy)benzenesulfonamide
分子名称: 4-[[1-[(2~{S},3~{S},5~{R})-2-(hydroxymethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]-1,2,3-triazol-4-yl]methoxy]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-16
公開日2021-04-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 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
6SYB
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BU of 6syb by Molmil
Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
分子名称: (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, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2019-09-27
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of carbonic anhydrase 2 with (3aR,4S,9bS)-4-(2-chloro-4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
6SX9
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BU of 6sx9 by Molmil
Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
分子名称: 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2019-09-25
公開日2020-10-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
6SYS
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BU of 6sys by Molmil
Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
分子名称: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ...
著者Angeli, A, Ferraroni, M.
登録日2019-10-01
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
7NWY
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BU of 7nwy by Molmil
Crystal structure of alpha carbonic anhydrase from schistosoma mansoni with 4-(3-(4-fluorophenyl)ureido)benzenesulfonamide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2021-03-17
公開日2022-03-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7O48
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BU of 7o48 by Molmil
Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Angeli, A, Ferraroni, M.
登録日2021-04-05
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7PLF
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BU of 7plf by Molmil
Human Carbonic Anhydrase I in complex with clorsulon
分子名称: 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2021-08-31
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.461 Å)
主引用文献Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Acta Crystallogr D Struct Biol, 78, 2022
7PRI
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BU of 7pri by Molmil
Carbonic Anhydrase from Schistosoma Mansoni in complex with clorsulon
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase, ...
著者Angeli, A, Ferraroni, M.
登録日2021-09-21
公開日2022-10-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Acta Crystallogr D Struct Biol, 78, 2022
6YL7
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BU of 6yl7 by Molmil
Crystal structure of beta carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
分子名称: Beta carbonic anhydrase, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-06
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.17 Å)
主引用文献Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Molecules, 25, 2020
6YJN
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BU of 6yjn by Molmil
Crystal structure of beta carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei.
分子名称: Beta carbonic anhydrase, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2020-04-03
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of a Tetrameric Type II beta-Carbonic Anhydrase from the Pathogenic BacteriumBurkholderia pseudomallei.
Molecules, 25, 2020
2PZH
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BU of 2pzh by Molmil
YbgC thioesterase (Hp0496) from Helicobacter pylori
分子名称: Hypothetical protein HP_0496
著者Angelini, A, Cendron, L, Goncalves, S, Zanotti, G, Terradot, L.
登録日2007-05-18
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and enzymatic characterization of HP0496, a YbgC thioesterase from Helicobacter pylori.
Proteins, 72, 2008
6T7H
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BU of 6t7h by Molmil
Crystal structure of Thrombin in complex with macrocycle N14-PR4-A
分子名称: (14S,17R)-14-(3-carbamimidamidopropyl)-3-(furan-2-ylmethyl)-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(25),7,9,21,23-pentaene-17-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Angelini, A, Kumar, M.G, Heinis, C, Cendron, L.
登録日2019-10-22
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Macrocycle synthesis strategy based on step-wise "adding and reacting" three components enables screening of large combinatorial libraries.
Chem Sci, 11, 2020
7OA1
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BU of 7oa1 by Molmil
Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide
分子名称: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Angelil, A, Ferraroni, M.
登録日2021-04-18
公開日2022-05-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021

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件を2024-07-17に公開中

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