PDB: 1555 件ウェブページステータス検索Chemie searchBIRD

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4HEW	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure 分子名称: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, 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 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6984 Å) 主引用文献 Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
5KU6	Crystal structure for the complex of human carbonic anhydrase IV and methazolamide 分子名称: ACETATE ION, Carbonic anhydrase 4, GLYCEROL, ... 著者 Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. 登録日 2016-07-12 公開日 2017-07-26 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
5LLH	Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... 著者 Manakova, E, Smirnov, A, 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 (1.9 Å) 主引用文献 Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
3KIG	Mutant carbonic anhydrase II in complex with an azide and an alkyne 分子名称: 2-azido-N-(2-sulfanylethyl)ethanamide, 3-ethynylbenzenesulfonamide, Carbonic anhydrase 2, ... 著者 Schulze-Wischeler, J, Niehage, N.U, Heine, A, Klebe, G. 登録日 2009-11-02 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Stereo- and Regioselective Azide/Alkyne Cycloadditions in Carbonic Anhydrase II via Tethering, Monitored by Crystallography and Mass Spectrometry. Chemistry, 17, 2011
3P4V	Human carbonic anhydrase II in complex with (+)-Xylariamide A 分子名称: 3-chloro-N-[(2E)-4-methoxy-4-oxobut-2-enoyl]-L-tyrosine, Carbonic anhydrase 2, ZINC ION 著者 Hofmann, A, Nankervis, T, Davis, R. 登録日 2010-10-07 公開日 2011-04-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases. J.Med.Chem., 54, 2011
3M67	Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide 分子名称: 2-chloro-5-[(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylsulfanyl)acetyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-03-15 公開日 2010-11-03 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
5LLC	Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Manakova, E, Smirnov, A, 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 (1.1 Å) 主引用文献 Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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
5LLE	Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... 著者 Manakova, E, Smirnov, A, 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 (1.9 Å) 主引用文献 Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
4YXI	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (2). 分子名称: 4-methylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-23 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (0.96 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
5MJN	Three dimensional structure of human carbonic anhydrase II in complex with 5-[(4Chlorobenzyl)sulfanyl]thiophene-2-sulfonamide 分子名称: 5-[(4-chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2016-12-01 公開日 2017-12-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.17 Å) 主引用文献 5-Substituted-benzylsulfanyl-thiophene-2-sulfonamides with effective carbonic anhydrase inhibitory activity: Solution and crystallographic investigations. Bioorg. Med. Chem., 25, 2017
4YXU	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4). 分子名称: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-23 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
4YXO	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3). 分子名称: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-23 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
4YYT	Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (5). 分子名称: 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Rechlin, C, Heine, A, Klebe, G. 登録日 2015-03-24 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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
3MHO	Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide 分子名称: 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D, Sukackaite, R. 登録日 2010-04-08 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
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
3MHM	Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide 分子名称: 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-04-08 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3MHL	Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide 分子名称: 4-{[(6-methoxy-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-04-08 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3KOK	Crystal structure of cobalt (II) human carbonic anhydrase II at pH 8.5 分子名称: COBALT (II) ION, Carbonic anhydrase 2 著者 Avvaru, B.S. 登録日 2009-11-13 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II. Arch.Biochem.Biophys., 502, 2010
3DC3	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-03 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
3MHI	Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide 分子名称: 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-04-08 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII Bioorg.Med.Chem., 18, 2010
3KOI	Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0 分子名称: COBALT (III) ION, Carbonic anhydrase 2 著者 Avvaru, B.S. 登録日 2009-11-13 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II. Arch.Biochem.Biophys., 502, 2010
3KON	Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0 分子名称: COBALT (II) ION, Carbonic anhydrase 2 著者 Avvaru, B.S. 登録日 2009-11-13 公開日 2010-08-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II. Arch.Biochem.Biophys., 502, 2010

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