PDB: 1313 件ウェブページステータス検索Chemie searchBIRD

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4WW6	Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide 分子名称: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-11-10 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry. Biophys.Chem., 205, 2015
7SV8	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(naphthalen-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.388 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SV1	Carbonic Anhydrase IX-mimic Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.559 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUW	Carbonic Anhydrase IX-mimic with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-(2-{[(furan-2-yl)methyl][2-(4-sulfamoylphenyl)ethyl]amino}-2-oxoethyl)-N-(2-phenylethyl)-beta-alanine, ... 著者 McKenna, R, Combs, J.E. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.456 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
7SUY	Carbonic Anhydrase IX-mimic Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N-[(furan-2-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... 著者 Combs, J.E, McKenna, R. 登録日 2021-11-18 公開日 2022-04-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.405 Å) 主引用文献 The three-tails approach as a new strategy to improve selectivity of action of sulphonamide inhibitors against tumour-associated carbonic anhydrase IX and XII. J Enzyme Inhib Med Chem, 37, 2022
12CA	ALTERING THE MOUTH OF A HYDROPHOBIC POCKET. STRUCTURE AND KINETICS OF HUMAN CARBONIC ANHYDRASE II MUTANTS AT RESIDUE VAL-121 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Nair, S.K, Christianson, D.W. 登録日 1991-10-01 公開日 1992-10-15 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Altering the mouth of a hydrophobic pocket. Structure and kinetics of human carbonic anhydrase II mutants at residue Val-121. J.Biol.Chem., 266, 1991
1AM6	CARBONIC ANHYDRASE II INHIBITOR: ACETOHYDROXAMATE 分子名称: ACETOHYDROXAMIC ACID, CARBONIC ANHYDRASE, MERCURY (II) ION, ... 著者 Scolnick, L.R, Clements, A.M, Christianson, D.W. 登録日 1997-06-24 公開日 1998-06-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel Binding Mode of Hydroxamate Inhibitors to Human Carbonic Anhydrase II J.Am.Chem.Soc., 119, 1997
1A42	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE 分子名称: (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Boriack-Sjodin, P.A, Christianson, D.W. 登録日 1998-02-10 公開日 1999-03-23 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
1AZM	DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COMPLEXED WITH HUMAN CARBONIC ANHYDRASE I 分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE I, ZINC ION 著者 Chakravarty, S, Kannan, K.K. 登録日 1993-11-28 公開日 1994-04-30 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Drug-protein interactions. Refined structures of three sulfonamide drug complexes of human carbonic anhydrase I enzyme. J.Mol.Biol., 243, 1994
1BCD	X-RAY CRYSTALLOGRAPHIC STRUCTURE OF A COMPLEX BETWEEN HUMAN CARBONIC ANHYDRASE II AND A NEW TOPICAL INHIBITOR, TRIFLUOROMETHANE SULPHONAMIDE 分子名称: CARBONIC ANHYDRASE II, TRIFLUOROMETHANE SULFONAMIDE, ZINC ION 著者 Hakansson, K, Liljas, A. 登録日 1993-08-31 公開日 1993-10-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 The structure of a complex between carbonic anhydrase II and a new inhibitor, trifluoromethane sulphonamide. FEBS Lett., 350, 1994
1AVN	HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH THE HISTAMINE ACTIVATOR 分子名称: AZIDE ION, CARBONIC ANHYDRASE II, HISTAMINE, ... 著者 Briganti, F, Mangani, S, Orioli, P, Scozzafava, A, Vernaglione, G, Supuran, C.T. 登録日 1997-09-17 公開日 1997-12-24 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes I and II with histamine. Biochemistry, 36, 1997
7U5X	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 (1.04 Å) 主引用文献 Crystal Structure Analysis of human Carbonic anhydrase 2 To Be Published
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
8SD7	Carbonic anhydrase II radiation damage RT 61-90 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.704 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SF1	Carbonic anhydrase II XFEL radiation damage RT 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-10 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SAG	Carbonic anhydrase II in complex with the coumarin benzene sulfonamide SG1-57 分子名称: 2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Combs, J.E, Mckenna, R. 登録日 2023-03-31 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Carbonic anhydrase II in complex with novel coumarin benzene sulfonamides To Be Published
8SD9	Carbonic anhydrase II radiation damage RT 121-150 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.904 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SAF	CA II in complex with the coumarin benzene sulfonamide SG1-51 分子名称: 2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-03-31 公開日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.23 Å) 主引用文献 CA in complex with novel coumarin benzene sulfonamides To Be Published
9CA2	ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II 分子名称: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION 著者 Alexander, R.S, Christianson, D.W. 登録日 1991-07-09 公開日 1992-07-15 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Engineering the hydrophobic pocket of carbonic anhydrase II. Biochemistry, 30, 1991
8SD8	Carbonic anhydrase II radiation damage RT 91-120 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.789 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SD6	Carbonic anhydrase II radiation damage RT 31-60 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.E, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.397 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
8SD1	Carbonic anhydrase II radiation damage RT 1-30 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Combs, J.C, Mckenna, R. 登録日 2023-04-06 公開日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.298 Å) 主引用文献 XFEL structure of carbonic anhydrase II: a comparative study of XFEL, NMR, X-ray and neutron structures. Acta Crystallogr D Struct Biol, 80, 2024
7AEQ	Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide 分子名称: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-18 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
7AGN	Human carbonic anhydrase II in complex with 4-(2-aminoethylsulfanyl)-2,3,5,6-tetrafluoro-N-methyl-benzenesulfonamide 分子名称: 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide, BICINE, SODIUM ION, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-23 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.15 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021
7AES	Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide 分子名称: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ... 著者 Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S. 登録日 2020-09-18 公開日 2021-09-01 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases. Eur.Biophys.J., 50, 2021

 

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