6H38
 
 | | The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | | 分子名称: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | 著者 | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | 登録日 | 2018-07-17 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H36
 | | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | | 分子名称: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | | 著者 | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | 登録日 | 2018-07-17 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H37
 | | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide | | 分子名称: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | | 著者 | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | 登録日 | 2018-07-17 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H2Z
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | | 分子名称: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | 登録日 | 2018-07-17 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H33
 | | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide. | | 分子名称: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | 登録日 | 2018-07-17 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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6H34
 | | The crystal structure of human carbonic anhydrase II in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide. | | 分子名称: | 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | | 登録日 | 2018-07-17 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
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7NC4
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5EGA
 | | 2009 H1N1 PA endonuclease domain in complex with an N-acylhydrazone inhibitor | | 分子名称: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide, MANGANESE (II) ION, Polymerase acidic protein | | 著者 | Kumar, G, White, S.W. | | 登録日 | 2015-10-26 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | N-acylhydrazone inhibitors of influenza virus PA endonuclease with versatile metal binding modes.
Sci Rep, 6, 2016
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3VBD
 | | Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | | 分子名称: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Mader, P, Brynda, J, Rezacova, P. | | 登録日 | 2012-01-02 | | 公開日 | 2012-04-04 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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3V7X
 | | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | 著者 | Mader, P, Brynda, J, Rezacova, P. | | 登録日 | 2011-12-22 | | 公開日 | 2012-04-04 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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6XXT
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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
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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
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5OAE
 | | Crystal Structure of tyrosinase from Bacillus megaterium with SVF inhibitor in the active site | | 分子名称: | 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone, COPPER (II) ION, Tyrosinase | | 著者 | Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A. | | 登録日 | 2017-06-21 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
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3IGP
 | | Structure of inhibitor binding to Carbonic Anhydrase II | | 分子名称: | 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Gitto, R, Agnello, S, Brynda, J, Mader, P, Supuran, C.T, Chimirri, A. | | 登録日 | 2009-07-28 | | 公開日 | 2010-03-09 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Identification of 3,4-Dihydroisoquinoline-2(1H)-sulfonamides as Potent Carbonic Anhydrase Inhibitors: Synthesis, Biological Evaluation, and Enzyme-Ligand X-ray Studies.
J.Med.Chem., 2010
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6QXD
 | | Crystal Structure of tyrosinase from Bacillus megaterium with JKB inhibitor in the active site. | | 分子名称: | (2,4-dinitrophenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone, COPPER (II) ION, Tyrosinase | | 著者 | Deri Zenaty, B, Gitto, R, Pazy, Y, Fishman, A. | | 登録日 | 2019-03-07 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.317 Å) | | 主引用文献 | Exploiting the 1-(4-fluorobenzyl)piperazine fragment for the development of novel tyrosinase inhibitors as anti-melanogenic agents: Design, synthesis, structural insights and biological profile.
Eur.J.Med.Chem., 178, 2019
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4Z0Q
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-26 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z1J
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z1N
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z1E
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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4Z1K
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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6EI4
 | | Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site | | 分子名称: | COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone | | 著者 | Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A. | | 登録日 | 2017-09-17 | | 公開日 | 2018-04-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments.
J. Med. Chem., 61, 2018
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3PO6
 | | Crystal structure of human carbonic anhydrase II with 6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide | | 分子名称: | (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide, ACETATE ION, ... | | 著者 | Mader, P, Brynda, J, Gitto, R, Agnello, S, Ferro, S, De Luca, L, Vullo, D, Supuran, C.T, Chimirri, A. | | 登録日 | 2010-11-22 | | 公開日 | 2011-04-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides.
J.Med.Chem., 54, 2011
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