4WR7
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![BU of 4wr7 by Molmil](/molmil-images/mine/4wr7) | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide. | 分子名称: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-10-23 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.5 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
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4WUQ
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![BU of 4wuq by Molmil](/molmil-images/mine/4wuq) | Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide | 分子名称: | 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-11-03 | 公開日 | 2015-07-01 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 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
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5OGJ
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![BU of 5ogj by Molmil](/molmil-images/mine/5ogj) | Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2017-07-13 | 公開日 | 2018-08-01 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | 主引用文献 | Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To be published
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5E2N
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![BU of 5e2n by Molmil](/molmil-images/mine/5e2n) | Crystal structure of human carbonic anhydrase isozyme XIII with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2015-10-01 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.53 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
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5E2M
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![BU of 5e2m by Molmil](/molmil-images/mine/5e2m) | Crystal structure of human carbonic anhydrase isozyme I with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | 分子名称: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2015-10-01 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.41 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
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5LLH
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![BU of 5llh by Molmil](/molmil-images/mine/5llh) | Crystal structure of human carbonic anhydrase isozyme II with 4-(1,3-Benzothiazol-2-ylthio)-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1,3-benzothiazol-2-ylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5LLC
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![BU of 5llc by Molmil](/molmil-images/mine/5llc) | Crystal structure of human carbonic anhydrase isozyme II with 3-(Methylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide | 分子名称: | 1,2-ETHANEDIOL, 2,3,6-tris(fluoranyl)-5-(methylamino)-4-(2-phenylethylsulfonyl)benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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5LLE
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![BU of 5lle by Molmil](/molmil-images/mine/5lle) | Crystal structure of human carbonic anhydrase isozyme II with 4-(1-Adamantylamino)-2,3,5,6-tetrafluorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(1-adamantylamino)-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide, BICINE, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2016-07-27 | 公開日 | 2017-08-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding. PeerJ, 6, 2018
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4QSI
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![BU of 4qsi by Molmil](/molmil-images/mine/4qsi) | Crystal structure of human carbonic anhydrase isozyme II with 5-{[(4-tert-buthyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}-2-chlorobenzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-{[(4-tert-butyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}-2-chlorobenzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-07-04 | 公開日 | 2015-01-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
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4QIY
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![BU of 4qiy by Molmil](/molmil-images/mine/4qiy) | Crystal structure of human carbonic anhydrase isozyme II with inhibitor | 分子名称: | 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-06-03 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4QJ0
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![BU of 4qj0 by Molmil](/molmil-images/mine/4qj0) | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-06-03 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4QIZ
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![BU of 4qiz by Molmil](/molmil-images/mine/4qiz) | Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-06-03 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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4QJP
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![BU of 4qjp by Molmil](/molmil-images/mine/4qjp) | Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor | 分子名称: | 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-phenylethyl)sulfonyl]benzenesulfonamide, CITRIC ACID, ... | 著者 | Manakova, E, Smirnov, A, Grazulis, S. | 登録日 | 2014-06-04 | 公開日 | 2015-04-15 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases Chemmedchem, 10, 2015
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3ZI5
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![BU of 3zi5 by Molmil](/molmil-images/mine/3zi5) | Crystal STRUCTURE OF RESTRICTION ENDONUCLEASE BFII C-TERMINAL RECOGNITION DOMAIN IN COMPLEX WITH COGNATE DNA | 分子名称: | 5'-D(*AP*GP*CP*AP*CP*TP*GP*GP*GP*TP*CP*GP)-3', 5'-D(*CP*GP*AP*CP*CP*CP*AP*GP*TP*GP*CP*TP)-3', RESTRICTION ENDONUCLEASE | 著者 | Golovenko, D, Manakova, E, Zakrys, L, Zaremba, M, Sasnauskas, G, Grazulis, S, Siksnys, V. | 登録日 | 2013-01-03 | 公開日 | 2014-01-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural Insight Into the Specificity of the B3 DNA-Binding Domains Provided by the Co-Crystal Structure of the C-Terminal Fragment of Bfii Restriction Enzyme Nucleic Acids Res., 42, 2014
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4QSA
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![BU of 4qsa by Molmil](/molmil-images/mine/4qsa) | Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetyl}benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2014-07-03 | 公開日 | 2015-01-21 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | 主引用文献 | Intrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIII Plos One, 9, 2014
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7AEQ
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![BU of 7aeq by Molmil](/molmil-images/mine/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
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7AES
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![BU of 7aes by Molmil](/molmil-images/mine/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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7AGN
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![BU of 7agn by Molmil](/molmil-images/mine/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
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3SBH
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![BU of 3sbh by Molmil](/molmil-images/mine/3sbh) | Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ... | 著者 | Grazulis, S, Manakova, E, Tamulaitiene, G. | 登録日 | 2011-06-05 | 公開日 | 2012-04-11 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. Eur.J.Med.Chem., 51, 2012
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1XCK
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![BU of 1xck by Molmil](/molmil-images/mine/1xck) | Crystal structure of apo GroEL | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 60 kDa chaperonin, DI(HYDROXYETHYL)ETHER, ... | 著者 | Bartolucci, C, Lamba, D, Grazulis, S, Manakova, E, Heumann, H. | 登録日 | 2004-09-02 | 公開日 | 2005-10-25 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | 主引用文献 | Crystal structure of wild-type chaperonin GroEL J.Mol.Biol., 354, 2005
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2C1L
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![BU of 2c1l by Molmil](/molmil-images/mine/2c1l) | Structure of the BfiI restriction endonuclease | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BICARBONATE ION, ... | 著者 | Grazulis, S, Manakova, E, Roessle, M, Bochtler, M, Tamulaitiene, G, Huber, R, Siksnys, V. | 登録日 | 2005-09-15 | 公開日 | 2005-10-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure of the Metal-Independent Restriction Enzyme Bfii Reveals Fusion of a Specific DNA-Binding Domain with a Nonspecific Nuclease. Proc.Natl.Acad.Sci.USA, 102, 2005
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5IPZ
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![BU of 5ipz by Molmil](/molmil-images/mine/5ipz) | Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide | 分子名称: | 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide, Carbonic anhydrase 4, ZINC ION | 著者 | Smirnov, A, Manakova, E, Grazulis, S. | 登録日 | 2016-03-10 | 公開日 | 2017-03-29 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV. Eur. Biophys. J., 47, 2018
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6EKO
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![BU of 6eko by Molmil](/molmil-images/mine/6eko) | Crystal structure of Type IIP restriction endonuclease PfoI with cognate DNA | 分子名称: | CALCIUM ION, DNA (5'-D(*CP*GP*CP*TP*CP*CP*CP*GP*GP*AP*GP*CP*GP*T)-3'), Restriction endonuclease PfoI | 著者 | Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V. | 登録日 | 2017-09-26 | 公開日 | 2018-10-10 | 最終更新日 | 2019-04-24 | 実験手法 | X-RAY DIFFRACTION (2.284 Å) | 主引用文献 | Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family. Nucleic Acids Res., 47, 2019
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6EKR
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![BU of 6ekr by Molmil](/molmil-images/mine/6ekr) | |
6EK1
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![BU of 6ek1 by Molmil](/molmil-images/mine/6ek1) | Crystal structure of Type IIP restriction endonuclease PfoI | 分子名称: | 1,2-ETHANEDIOL, restriction endonuclease PfoI | 著者 | Tamulaitiene, G, Manakova, E, Jovaisaite, V, Grazulis, S, Siksnys, V. | 登録日 | 2017-09-25 | 公開日 | 2018-10-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.601 Å) | 主引用文献 | Unique mechanism of target recognition by PfoI restriction endonuclease of the CCGG-family. Nucleic Acids Res., 47, 2019
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