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

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6RPS	X-ray crystal structure of carbonic anhydrase XII complexed with a theranostic monoclonal antibody fragment 分子名称: ACETATE ION, CADMIUM ION, CHLORIDE ION, ... 著者 Alterio, V, Esposito, D, De Simone, G. 登録日 2019-05-14 公開日 2019-11-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Biochemical and Structural Insights into Carbonic Anhydrase XII/Fab6A10 Complex. J.Mol.Biol., 431, 2019
6RG5	Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-04-16 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.089 Å) 主引用文献 Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide To Be Published
6ROE	Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,6-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-05-12 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.939 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
6RIG	Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-oxidanylbenzenesulfonamide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-04-24 公開日 2020-05-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.999 Å) 主引用文献 Human Carbonic Anhydrase II in complex with 4-Hydroxybenzenesulfonamide To Be Published
4L5V	The structural implications of the secondary CO2 binding pocket in human carbonic anhydrase II 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Boone, C.D, Gill, S, McKenna, R. 登録日 2013-06-11 公開日 2014-04-30 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structural, catalytic and stabilizing consequences of aromatic cluster variants in human carbonic anhydrase II. Arch.Biochem.Biophys., 539, 2013
4MDG	Closo Carborane Carbonic Anhydrase Inhibitor 分子名称: 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane, Carbonic anhydrase 2, ZINC ION 著者 Brynda, J, Mader, P, Rezacova, P. 登録日 2013-08-22 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013
4LHI	Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide 分子名称: 5-(phenylsulfonyl)thiophene-2-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2013-07-01 公開日 2014-07-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of human carbonic anhydrase isozyme II with 5-(phenylsulfonyl)thiophene-2-sulfonamide To be Published
4MDM	Nido-Carborane Carbonic Anhydrase Inhibitor 分子名称: 7-(sulfamoylamino)methyl-7,8-dicarba-nido-undecaborane, Carbonic anhydrase 2, ZINC ION 著者 Brynda, J, Mader, P, Rezacova, P, Cigler, P, Gruner, B. 登録日 2013-08-23 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013
4M2R	Human Carbonic Anhydrase II in complex with Brinzolamide 分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION 著者 Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. 登録日 2013-08-05 公開日 2013-11-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.993 Å) 主引用文献 Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
4MTY	Structure at 1A resolution of a helical aromatic foldamer-protein complex. 分子名称: 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... 著者 Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y. 登録日 2013-09-20 公開日 2013-12-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
4N16	Structure of cholate bound to human carbonic anhydrase II 分子名称: CHOLIC ACID, Carbonic anhydrase 2, GLYCEROL, ... 著者 Boone, C.D, McKenna, R. 登録日 2013-10-03 公開日 2014-06-18 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structural elucidation of the hormonal inhibition mechanism of the bile acid cholate on human carbonic anhydrase II. Acta Crystallogr.,Sect.D, 70, 2014
4N0X	Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide 分子名称: Carbonic anhydrase 2, ZINC ION, thiophene-2-sulfonamide 著者 Fisher, S.Z, Williams, R.F. 登録日 2013-10-02 公開日 2014-01-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Room temperature crystal structure of human carbonic anhydrase II in complex with thiophene-2-sulfonamide To be Published
4MO8	The crystal structure of the human carbonic anhydrase II in complex with N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide 分子名称: Carbonic anhydrase 2, N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]sulfamide, ZINC ION 著者 Alterio, V, De Simone, G. 登録日 2013-09-11 公開日 2013-10-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Hypoxia-Targeting Carbonic Anhydrase IX Inhibitors by a New Series of Nitroimidazole-Sulfonamides/Sulfamides/Sulfamates. J.Med.Chem., 56, 2013
4LU3	The crystal structure of the human carbonic anhydrase XIV 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 14, GLYCEROL, ... 著者 Alterio, V, De Simone, G, Monti, S.M. 登録日 2013-07-24 公開日 2014-01-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The structural comparison between membrane-associated human carbonic anhydrases provides insights into drug design of selective inhibitors. Biopolymers, 101, 2014
4M2V	Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide 分子名称: (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION 著者 Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. 登録日 2013-08-05 公開日 2013-11-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.718 Å) 主引用文献 Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
4M2U	Carbonic Anhydrase II in complex with Dorzolamide 分子名称: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION 著者 Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. 登録日 2013-08-05 公開日 2013-11-06 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.999 Å) 主引用文献 Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
4MLT	Structure of a monodentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII 分子名称: 3-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2013-09-06 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site. J.Am.Chem.Soc., 136, 2014
4MLX	Structure of a bidentate 3-hydroxy-4H-pyran-4-thione ligand bound to hCAII 分子名称: 5-hydroxy-2-methyl-4H-pyran-4-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Martin, D.P, Cohen, S.M. 登録日 2013-09-06 公開日 2014-07-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 'Unconventional' coordination chemistry by metal chelating fragments in a metalloprotein active site. J.Am.Chem.Soc., 136, 2014
4MDL	Meta Carborane Carbonic Anhydrase Inhibitor 分子名称: 1-(sulfamoylamino)methyl-1,7-dicarba-closo-dodecaborane, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... 著者 Brynda, J, Mader, P, Rezacova, P, Cigler, P. 登録日 2013-08-23 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.516 Å) 主引用文献 Carborane-based carbonic anhydrase inhibitors. Angew.Chem.Int.Ed.Engl., 52, 2013
4LP6	Crystal Structure of Human Carbonic Anhydrase II in complex with a quinoline oligoamide foldamer 分子名称: 8-({[4-(3-aminopropoxy)-8-({[4-hydroxy-8-({[4-(2-methylpropoxy)-8-({[4-(3-{[(4-sulfamoylbenzoyl)amino]methyl}phenoxy)butyl]carbamoyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)quinolin-2-yl]carbonyl}amino)-4-(carboxymethoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ZINC ION 著者 Buratto, J, Granier, T, Langlois D'estaintot, B, Huc, I, Gallois, B. 登録日 2013-07-15 公開日 2013-10-23 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 angstrom resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
3LXE	Human Carbonic Anhydrase I in complex with topiramate 分子名称: Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate 著者 Alterio, V, De Simone, G, Monti, S.M, Truppo, E. 登録日 2010-02-25 公開日 2010-07-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
3M3X	Crystal structure of human carbonic anhydrase isozyme II with 4-{2-[N-(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide 分子名称: 4-{2-[(6-methoxy-5-nitropyrimidin-4-yl)amino]ethyl}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-03-10 公開日 2010-10-20 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.68 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
3M5E	Crystal structure of human carbonic anhydrase isozyme II with 4-{[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]methyl}benzenesulfonamide 分子名称: 4-({[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}methyl)benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Grazulis, S, Manakova, E, Golovenko, D. 登録日 2010-03-12 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
3M14	Carbonic Anhydrase II in complex with novel sulfonamide inhibitor 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ... 著者 Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. 登録日 2010-03-04 公開日 2011-05-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.38 Å) 主引用文献 Structural investigation and inhibitor studies on Carbonic Anhydrase II To be Published
3M1J	The crystal structure of a NAMI A-Carbonic Anhydrase II adduct discloses the mode of action of this novel anticancer metallodrug 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, IMIDAZOLE, ... 著者 Temperini, C, Messori, L. 登録日 2010-03-05 公開日 2011-01-19 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The x-ray structure of the adduct between NAMI-A and carbonic anhydrase provides insights into the reactivity of this metallodrug with proteins Chemmedchem, 5, 2010

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