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

---

6T9Z	Nidocarborane inhibitor of Carbonic Anhydrase IX 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, Nidocarborane, ... 著者 Brynda, J, Rezacova, P, Kugler, M, Gruner, B. 登録日 2019-10-29 公開日 2020-06-17 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX. Eur.J.Med.Chem., 200, 2020
7Q0C	Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate 分子名称: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-10-14 公開日 2022-01-12 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci, 23, 2021
5LL4	Crystal structure of human carbonic anhydrase isozyme II with 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide 分子名称: 4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2016-07-26 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Combinatorial Design of Isoform-Selective N-Alkylated Benzimidazole-Based Inhibitors of Carbonic Anhydrases Chemistryselect, 2017
5LLG	Crystal structure of human carbonic anhydrase isozyme II with 4-Propylthiobenzenesulfonamide 分子名称: 4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2016-07-27 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
6YH7	Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-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 (1.12 Å) 主引用文献 Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII. Chemistryopen, 10, 2021
4Q6D	Crystal structure of human carbonic anhydrase isozyme II with 4-[(Z)-azepan-1-yldiazenyl]benzenesulfonamide 分子名称: 4-[(E)-azepan-1-yldiazenyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-22 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Molecules, 19, 2014
4Q6E	Crystal structure of human carbonic anhydrase isozyme II with 4-{[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzene-1-sulfonamide 分子名称: 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-04-22 公開日 2014-11-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 4-Amino-substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Molecules, 19, 2014
6G6T	Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide 分子名称: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2018-04-03 公開日 2019-03-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases. Eur J Med Chem, 156, 2018
8FR4	Carbonic Anhydrase IX-mimic in complex with the alkyl urea compound 3j 分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J.E, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 実験手法 X-RAY DIFFRACTION (1.123 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
6OTK	Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-596B 分子名称: 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kota, A, McKenna, R. 登録日 2019-05-03 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.123 Å) 主引用文献 Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B To Be Published
6RRG	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 3,5-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-05-17 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.127 Å) 主引用文献 The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
5EKJ	Human Carbonic Anhydrase II complexed with a two-faced guest 分子名称: 2-(butylamino)-~{N}-[2-(4-sulfamoylphenyl)ethyl]ethanamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Roose, B.W, Dmochowski, I.J. 登録日 2015-11-03 公開日 2016-01-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.129 Å) 主引用文献 Programming A Molecular Relay for Ultrasensitive Biodetection through (129) Xe NMR. Angew.Chem.Int.Ed.Engl., 55, 2016
5JEH	Human carbonic anhydrase II (L198A) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-18 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
6SG0	Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-08-02 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide To Be Published
8EMU	Human Carbonic Anhydrase II Heterobifunctional Degraders 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, N-(2-methoxyethyl)-4-sulfamoylbenzamide, ... 著者 Kohlbrand, A.J, O'Herin, C.B. 登録日 2022-09-28 公開日 2023-02-15 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Development of Human Carbonic Anhydrase II Heterobifunctional Degraders. J.Med.Chem., 66, 2023
7QGZ	Human carbonic anhydrase II in complex with Methyl 3-((4-methylthiazol-2-yl)(4-sulfamoylphenyl)amino)propanoate 分子名称: Carbonic anhydrase 2, ZINC ION, methyl 3-[(4-methyl-1,3-thiazol-2-yl)-(4-sulfamoylphenyl)amino]propanoate 著者 Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-12-10 公開日 2022-05-04 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Beta and Gamma Amino Acid-Substituted Benzenesulfonamides as Inhibitors of Human Carbonic Anhydrases. Pharmaceuticals, 15, 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
6T4O	Human Carbonic anhydrase II bound by 3,5-dimethylbenzenesulfonamide 分子名称: 3,5-dimethylbenzenesulfonamide, BICINE, DIMETHYL SULFOXIDE, ... 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 (1.133 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
6S9G	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Ngo, K, Heine, A, Klebe, G. 登録日 2019-07-12 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
4RUY	Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide 分子名称: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Pinard, M.A, Mckenna, R. 登録日 2014-11-23 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
4RUX	Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide 分子名称: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Pinard, M.A, Mckenna, R. 登録日 2014-11-23 公開日 2015-04-22 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.14 Å) 主引用文献 A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. Bioorg.Med.Chem., 23, 2015
4HF3	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure 分子名称: Carbonic anhydrase 2, IMIDAZOLE, ZINC ION 著者 Aggarwal, M, McKenna, R. 登録日 2012-10-04 公開日 2013-10-23 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.1476 Å) 主引用文献 Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
6KM6	Human Carbonic Anhydrase II native 15 atm CO2 分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kim, C.U, Kim, J.K. 登録日 2019-07-30 公開日 2020-08-05 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
5JE7	Human carbonic anhydrase II (F131Y) complexed with benzo[d]thiazole-2-sulfonamide 分子名称: 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. 登録日 2016-04-17 公開日 2017-01-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
6KM4	Human Carbonic Anhydrase II native 07 atm CO2 分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kim, C.U, Kim, J.K. 登録日 2019-07-30 公開日 2020-08-05 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020

<12345678910111213141516>