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

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8CO3	Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide 分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 12, ZINC ION 著者 Leitans, J, Dvinskis, E, Tars, K. 登録日 2023-02-26 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. J.Med.Chem., 66, 2023
8CO0	Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide 分子名称: 5-(5-methyl-6-quinolin-5-yl-pyridin-3-yl)thiophene-2-sulfonamide, Carbonic anhydrase 9, GLYCEROL, ... 著者 Leitans, J, Tars, K. 登録日 2023-02-25 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect. J.Med.Chem., 66, 2023
8BZZ	Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide 分子名称: 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-12-15 公開日 2023-12-27 最終更新日 2024-07-10 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Diversely N -substituted benzenesulfonamides dissimilarly bind to human carbonic anhydrases: crystallographic investigations of N -nitrosulfonamides. J Enzyme Inhib Med Chem, 38, 2023
1OKL	CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKL INHIBITOR 5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONAMIDE 分子名称: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Nair, S.K, Elbaum, D, Christianson, D.W. 登録日 1996-06-25 公開日 1997-01-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Unexpected binding mode of the sulfonamide fluorophore 5-dimethylamino-1-naphthalene sulfonamide to human carbonic anhydrase II. Implications for the development of a zinc biosensor. J.Biol.Chem., 271, 1996
1OKM	CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKM INHIBITOR 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE 分子名称: 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W. 登録日 1996-06-25 公開日 1997-01-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor. J.Am.Chem.Soc., 118, 1996
1OKN	CARBONIC ANHYDRASE II COMPLEX WITH THE 1OKN INHIBITOR 4-SULFONAMIDE-[1-(4-N-(5-FLUORESCEIN THIOUREA)BUTANE)] 分子名称: 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... 著者 Elbaum, D, Nair, S.K, Patchan, M.W, Thompson, R.B, Christianson, D.W. 登録日 1996-06-25 公開日 1997-01-11 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure-based design of a sulfonamide probe for fluorescence anisotropy detection of zinc with a carbonic anhydrase-based biosensor. J.Am.Chem.Soc., 118, 1996
1OQ5	CARBONIC ANHYDRASE II IN COMPLEX WITH NANOMOLAR INHIBITOR 分子名称: 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, Carbonic anhydrase II, ZINC ION 著者 Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, C.T, Scozzafava, A, Klebe, G. 登録日 2003-03-07 公開日 2004-03-23 最終更新日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition. J.Med.Chem., 47, 2004
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
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
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
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
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
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
4ZWI	Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor 分子名称: (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Lomelino, C.L, Mahon, B.P, McKenna, M. 登録日 2015-05-19 公開日 2015-08-26 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli. Protein Sci., 24, 2015
4ZWZ	Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.62 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
4ZWY	Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor 分子名称: (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. 登録日 2015-05-19 公開日 2015-08-05 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 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
4ZX1	Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor 分子名称: (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. 登録日 2015-05-20 公開日 2015-10-28 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.501 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
4ZX0	Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... 著者 Mahon, B.P, Lomelino, C.L, Pinard, M.A, 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 (1.6 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
5A25	Rational engineering of a mesophilic carbonic anhydrase to an extreme halotolerant biocatalyst 分子名称: CARBONIC ANHYDRASE 2, GLYCEROL, SODIUM ION, ... 著者 Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V. 登録日 2015-05-12 公開日 2015-05-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst. Nat.Commun., 6, 2015
5A6H	Synthesis, carbonic anhydrase inhibition and protein X-ray structure of the unusual natural product primary sulfonamide Psammaplin C 分子名称: CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, PSAMMAPLIN C, ... 著者 Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S. 登録日 2015-06-26 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C. J.Med.Chem., 59, 2016
3VBD	Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide 分子名称: 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Mader, P, Brynda, J, Rezacova, P. 登録日 2012-01-02 公開日 2012-04-04 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. J.Med.Chem., 55, 2012
3W6H	Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide 分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 1, ... 著者 Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. 登録日 2013-02-14 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.964 Å) 主引用文献 Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
3W6I	Crystal structure of 19F probe-labeled hCAI 分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION 著者 Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. 登録日 2013-02-14 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.693 Å) 主引用文献 Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
3ZNC	MURINE CARBONIC ANHYDRASE IV COMPLEXED 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 IV, ZINC ION 著者 Stams, T, Chen, Y, Christianson, D.W. 登録日 1998-02-10 公開日 1999-03-23 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (2.8 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
4BCW	Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid 分子名称: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION 著者 Tars, K, Leitans, J, Kazaks, A. 登録日 2012-10-03 公開日 2013-02-06 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Sulfocoumarins (1,2-Benzoxathiine-2,2-Dioxides): A Class of Potent and Isoform-Selective Inhibitors of Tumor-Associated Carbonic Anhydrases. J.Med.Chem., 56, 2013

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