PDB: 1349 件ウェブページステータス検索Chemie searchBIRD

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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
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
6HX5	Selenols: a new class of Carbonic Anhydrase inhibitors 分子名称: Carbonic anhydrase 2, ZINC ION, benzeneselenol 著者 Angeli, A, Ferraroni, M. 登録日 2018-10-16 公開日 2018-12-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Selenols: a new class of carbonic anhydrase inhibitors. Chem. Commun. (Camb.), 55, 2019
6GXB	Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13 分子名称: Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide 著者 Brynda, J, Rezacova, P, Pospisilova, K. 登録日 2018-06-27 公開日 2019-05-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms Acs Omega, 4, 2019
6H29	HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE 分子名称: (phenylmethyl) carbamate, Carbonic anhydrase 2, ZINC ION 著者 Alterio, V, De Simone, G. 登録日 2018-07-13 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding. Chem. Commun. (Camb.), 54, 2018
6GOT	Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide 分子名称: 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T, Angeli, A. 登録日 2018-06-04 公開日 2018-10-03 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism. Bioorg. Chem., 81, 2018
6IM3	Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ... 著者 Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. 登録日 2018-10-22 公開日 2019-07-17 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
6I0L	Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor 分子名称: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ACETATE ION, Carbonic anhydrase 1, ... 著者 Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. 登録日 2018-10-26 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur.J.Med.Chem., 182, 2019
6I0W	Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide 分子名称: 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2018-10-26 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
6I0J	Crystal structure of human carbonic anhydrase I in complex with the 4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl sulfamate inhibitor 分子名称: ACETATE ION, Carbonic anhydrase 1, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. 登録日 2018-10-26 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur.J.Med.Chem., 182, 2019
6HXD	Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide 分子名称: 4-butylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2018-10-17 公開日 2019-10-30 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.119 Å) 主引用文献 Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
4G0C	Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding. 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION 著者 Fisher, S.Z, McKenna, R, Aggarwal, M. 登録日 2012-07-09 公開日 2012-09-19 最終更新日 2023-09-13 実験手法 NEUTRON DIFFRACTION (2 Å) 主引用文献 Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding. J.Am.Chem.Soc., 134, 2012
4HBA	Structural and Catalytic Characterization of a Thermal and Acid Stable Variant of Human Carbonic Anhydrase II Containing an Engineered Disulfide Bond 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Habibzadegan, A, McKenna, R. 登録日 2012-09-27 公開日 2013-07-31 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (1.762 Å) 主引用文献 Structural and catalytic characterization of a thermally stable and acid-stable variant of human carbonic anhydrase II containing an engineered disulfide bond. Acta Crystallogr.,Sect.D, 69, 2013
4HU1	Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor. 分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2012-11-02 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
4HT0	Crystal structure of human carbonic anhydrase isozyme II with the inhibitor. 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2012-10-31 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
4HT2	Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor. 分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 12, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2012-10-31 公開日 2013-04-10 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. Bioorg.Med.Chem., 21, 2013
4HEY	Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure 分子名称: 4-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 2024-02-28 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles. IUCrJ, 1, 2014
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
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
4GL1	Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant 分子名称: Carbonic anhydrase 2, ZINC ION 著者 West, D.M. 登録日 2012-08-13 公開日 2013-09-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases To be Published
4ITP	Structure of human carbonic anhydrase II bound to a benzene sulfonamide 分子名称: 2-phenyl-N-(4-sulfamoylbenzyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Biswas, S, McKenna, R. 登録日 2013-01-18 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.697 Å) 主引用文献 Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition. Bioorg.Med.Chem., 21, 2013
4IWZ	structure of hCAII in complex with an acetazolamide derivative 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Biswas, S, McKenna, R. 登録日 2013-01-24 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.598 Å) 主引用文献 Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII. Bioorg.Med.Chem.Lett., 23, 2013
4FVN	Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-29 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 HIgh resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4FVO	Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-29 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4ILX	Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Biswas, S, McKenna, R. 登録日 2013-01-01 公開日 2013-02-13 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition. Bioorg.Med.Chem., 21, 2013

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