PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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6YQU	CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE 分子名称: 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Alterio, V, De Simone, G, Esposito, D. 登録日 2020-04-18 公開日 2020-07-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.478 Å) 主引用文献 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
7ZL5	Azosemide in complex with Carbonic Anhydrase I 分子名称: Azosemide, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-04-14 公開日 2023-04-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.479 Å) 主引用文献 Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor J.Mol.Struct., 1268, 2022
7ZWB	human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide 分子名称: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Angeli, A, Ferraroni, M. 登録日 2022-05-19 公開日 2023-05-31 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome. J.Med.Chem., 66, 2023
5LLP	Crystal structure of human carbonic anhydrase isozyme XII with 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 3-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2016-07-28 公開日 2017-08-16 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
6UFD	Carbonic anhydrase 2 with inhibitor (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide (11g/D7) 分子名称: (2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide, CHLORIDE ION, Carbonic anhydrase 2, ... 著者 Peat, T.S. 登録日 2019-09-24 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Discovery of Potent Dual-Tailed Benzenesulfonamide Inhibitors of Human Carbonic Anhydrases Implicated in Glaucoma and in Vivo Profiling of Their Intraocular Pressure-Lowering Action. J.Med.Chem., 63, 2020
3DD0	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-04 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
6RQW	X-ray crystal structure of perdeuterated (D) small monoclinic unit cell CA IX SV. 分子名称: Carbonic anhydrase 9, FORMIC ACID, ZINC ION 著者 Fisher, Z, Koruza, K. 登録日 2019-05-16 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.488 Å) 主引用文献 Structural comparison of protiated, H/D-exchanged and deuterated human carbonic anhydrase IX. Acta Crystallogr D Struct Biol, 75, 2019
2WD2	A chimeric microtubule disruptor with efficacy on a taxane resistant cell line 分子名称: 7-methoxy-2-(3-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-6-yl sulfamate, CARBONIC ANHYDRASE 2, FORMIC ACID, ... 著者 Leese, M.P, Jourdan, F.L, Kimberley, M.R, Cozier, G.E, Regis-Lydi, S, Foster, P.A, Newman, S.P, Thiyagarajan, N, Acharya, K.R, Ferrandis, E, Purohit, A, Reed, M.J, Potter, B.V.L. 登録日 2009-03-19 公開日 2010-03-31 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Chimeric Microtubule Disruptors. Chem.Commun.(Camb.), 46, 2010
7JNV	Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
3P58	Human Carbonic Anhydrase in complex with Benzyl (Methyl) Carbamodithoic Acid 分子名称: Carbonic anhydrase 2, ZINC ION, benzyl(methyl)carbamodithioic acid 著者 Aggarwal, M, McKenna, R. 登録日 2010-10-08 公開日 2011-10-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
5WLR	Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide 分子名称: 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic Anhydrase IX-mimic, GLYCEROL, ... 著者 Lomelino, C.L, Andring, J.T, McKenna, R. 登録日 2017-07-27 公開日 2018-08-01 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs To Be Published
3P5A	Human Carbonic Anhydrase complexed with Sodium morpholinocarbodithioate 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Aggarwal, M, McKenna, R. 登録日 2010-10-08 公開日 2011-10-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 Dithiocarbamates strongly inhibit carbonic anhydrases and show antiglaucoma action in vivo J.Med.Chem., 55, 2012
4DZ7	hCA II in complex with novel sulfonamide inhibitors Set D 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... 著者 Aggarwal, M, McKenna, R. 登録日 2012-02-29 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.491 Å) 主引用文献 hCA II in complex with novel sulfonamide inhibitors Set D To be Published
4DZ9	hCA II in complex with novel sulfonamide inhibitors Set D 分子名称: 4-[4-(cyclohexylmethyl)-1H-1,2,3-triazol-1-yl]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Aggarwal, M, McKenna, R. 登録日 2012-02-29 公開日 2013-03-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.491 Å) 主引用文献 hCA II in complex with novel sulfonamide inhibitors Set D To be Published
8FQX	Carbonic Anhydrase II in complex with the alkyl ureas 3g 分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Combs, J.E, McKenna, R. 登録日 2023-01-06 公開日 2023-02-01 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.496 Å) 主引用文献 New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
6MBY	Carbonic Anhydrase II in complex with Ferulic Acid 分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Lomelino, C.L, McKenna, R. 登録日 2018-08-30 公開日 2019-03-13 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.496 Å) 主引用文献 Carbonic anhydrase II in complex with carboxylic acid-based inhibitors. Acta Crystallogr F Struct Biol Commun, 75, 2019
6OTO	Carbonic Anhydrase II complexed with ureic benzene sulfonamide MB9-561B 分子名称: 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Kota, A, McKenna, R. 登録日 2019-05-03 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.496 Å) 主引用文献 Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB9-561B To Be Published
3TVN	Human Carbonic Anhydrase II Proton Transfer Mutant 分子名称: Carbonic anhydrase 2, ZINC ION 著者 Mikulski, R.L, West, D.M, Sippel, K.H, Avvaru, B.S, Chingkuang, T, McKenna, R. 登録日 2011-09-20 公開日 2012-08-08 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.497 Å) 主引用文献 Water Networks in Fast Proton Transfer during Catalysis by Human Carbonic Anhydrase II. Biochemistry, 52, 2013
6OUK	Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B 分子名称: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kota, A, McKenna, R. 登録日 2019-05-04 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.498 Å) 主引用文献 Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B To Be Published
3P5L	Human Carbonic Anhydrase complexed with sodium 4-cyano-4-phenylpiperidine-1-carbodithioate 分子名称: 4-cyano-4-phenylpiperidine-1-carbodithioic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Aggarwal, M, McKenna, R. 登録日 2010-10-08 公開日 2011-10-19 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.498 Å) 主引用文献 Dithiocarbamates: a new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations. Chem.Commun.(Camb.), 48, 2012
3MZC	Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor 分子名称: 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. 登録日 2010-05-12 公開日 2011-03-09 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.498 Å) 主引用文献 Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
7JO1	Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide 分子名称: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ... 著者 Andring, J.T, McKenna, R. 登録日 2020-08-05 公開日 2020-11-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.499 Å) 主引用文献 Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone. J.Med.Chem., 63, 2020
3DCW	Use of Carbonic Anhydrase II, IX Active-Site Mimic, for the Purpose of Screening Inhibitors for Possible Anti-Cancer Properties 分子名称: 6-ethoxy-1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Genis, C, Sippel, K.H, Case, N, Govindasamy, L, Agbandje-Mckenna, M, Mckenna, R. 登録日 2008-06-04 公開日 2009-03-03 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Design of a carbonic anhydrase IX active-site mimic to screen inhibitors for possible anticancer properties Biochemistry, 48, 2009
7NZS	Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide 分子名称: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2021-03-24 公開日 2022-04-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Crystal structure of chimeric carbonic anhydrase VA To Be Published
4YGK	NaSCN--Interactions between Hofmeister Anions and the Binding Pocket of a Protein 分子名称: Carbonic anhydrase 2, HYDROXIDE ION, THIOCYANATE ION, ... 著者 Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. 登録日 2015-02-26 公開日 2015-03-25 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015

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