PDB: 1335 件ウェブページステータス検索Chemie searchBIRD

---

5DVX	Crystal structure of the catalytic-domain of human carbonic anhydrase IX at 1.6 angstrom resolution 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Carbonic anhydrase 9, ... 著者 Mahon, B.P, Socorro, L, Driscoll, J.M, McKenna, R. 登録日 2015-09-21 公開日 2016-08-03 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.598 Å) 主引用文献 The Structure of Carbonic Anhydrase IX Is Adapted for Low-pH Catalysis. Biochemistry, 55, 2016
5DOG	Crystal structure of human carbonic anhydrase isozyme II with 2-(Benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)thio]benzene- sulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(benzylamino)-3,5,6-trifluoro-4-[(2-phenylethyl)sulfanyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2015-09-11 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
5DSM	Structure of CO2 released holo-form of human carbonic anhydrase II with 25 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5DSR	Structure of CO2 released apo-form of human carbonic anhydrase II with 10 min warming 分子名称: Carbonic anhydrase 2, GLYCEROL 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
4FRC	Carbonic Anhydrase II in complex with N'-sulfamoylpyrrolidine-1-carboximidamide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-26 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
4ZWX	Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor 分子名称: (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. 登録日 2015-05-19 公開日 2015-10-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.696 Å) 主引用文献 Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
5AML	Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid 分子名称: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION 著者 Leitans, J, Tars, K, Zalubovskis, R. 登録日 2015-03-10 公開日 2015-04-08 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors. Chem.Commun.(Camb.), 51, 2015
5DSP	Structure of CO2 released apo-form of human carbonic anhydrase II with 40 sec warming 分子名称: Carbonic anhydrase 2, GLYCEROL 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2015-09-17 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5E2S	Crystal structure of human carbonic anhydrase II in complex with the 4-(2-iso-propylphenyl)benzenesulfonamide inhibitor 分子名称: 2'-(propan-2-yl)biphenyl-4-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Ferraroni, M, Supuran, C.T. 登録日 2015-10-01 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. J.Med.Chem., 59, 2016
4FL7	The crystal structure of human carbonic anhydrase II in complex with N-(Hydroxy)-benzamide 分子名称: BENZHYDROXAMIC ACID, Carbonic anhydrase 2, GLYCEROL, ... 著者 Di Fiore, A, De Simone, G. 登録日 2012-06-14 公開日 2012-08-15 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors. Chem.Commun.(Camb.), 48, 2012
4FPT	Carbonic Anhydrase II in complex with ethyl (2Z,4R)-2-(sulfamoylimino)-1,3-thiazolidine-4-carboxylate 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Di Pizio, A, Heine, A, Klebe, G. 登録日 2012-06-22 公開日 2013-07-03 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders To be Published
5BRV	Catalytic Improvement of an Artificial Metalloenzyme by Computational Design 分子名称: Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride 著者 Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. 登録日 2015-06-01 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
4E49	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: Carbonic anhydrase 2, MERCURIBENZOIC ACID, RESORCINOL, ... 著者 Cohen, S.M, Martin, D.P. 登録日 2012-03-12 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48, 2012
4E5Q	Human Carbonic Anhydrase II in complex with cyanate 分子名称: Carbonic anhydrase 2, ZINC ION, cyanic acid 著者 West, D, McKenna, R. 登録日 2012-03-14 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.7024 Å) 主引用文献 Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014
5E28	Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor 分子名称: 4'-aminobiphenyl-4-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ferraroni, M, Supuran, C.T. 登録日 2015-09-30 公開日 2016-01-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. J.Med.Chem., 59, 2016
5DRS	Crystal structure of human carbonic anhydraseisozyme II with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2015-09-16 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
5DOH	Crystal structure of human carbonic anhydrase isozyme II with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide 分子名称: 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2015-09-11 公開日 2016-09-28 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases. ChemMedChem, 12, 2017
4CNX	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture 分子名称: CARBONIC ANHYDRASE 2, DI(HYDROXYETHYL)ETHER, ZINC ION 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2014-01-25 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4CNV	Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture 分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2014-01-25 公開日 2015-02-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
4E4A	Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors 分子名称: 2-sulfanylbenzoic acid, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Cohen, S.M, Martin, D.P. 登録日 2012-03-12 公開日 2012-06-27 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors Chem.Commun.(Camb.), 48, 2012
4FIK	Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products 分子名称: 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... 著者 Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. 登録日 2012-06-08 公開日 2012-06-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II. J Phys Chem Lett, 1, 2010
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
4FU5	Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-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 2012-06-28 公開日 2013-07-17 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders To be Published
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

<15161718192021222324252627282930>