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3SBI
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BU of 3sbi by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[(2-pyrimidinylsulfanyl)acetyl]benzenesulfonamide
分子名称: 4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
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 (1.4 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SAP
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BU of 3sap by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(5-butyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(5-butylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ...
著者Grazulis, S, Manakova, E, Tamulaitiene, G.
登録日2011-06-03
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SAX
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BU of 3sax by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(5-ethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 2-chloro-5-{[(5-ethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Tamulaitiene, G.
登録日2011-06-03
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3S8X
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BU of 3s8x by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
分子名称: 4-{[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Grazulis, S, Manakova, E, Tamulaitiene, G.
登録日2011-05-31
公開日2012-04-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
6YHC
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BU of 6yhc by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH9
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BU of 6yh9 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH8
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BU of 6yh8 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide
分子名称: 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH7
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BU of 6yh7 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 3-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 3-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH5
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BU of 6yh5 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-Chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
分子名称: 2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YHB
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BU of 6yhb by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
分子名称: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH4
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BU of 6yh4 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
分子名称: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YHA
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BU of 6yha by Molmil
Crystal structure of chimeric carbonic anhydrase XII 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, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
6YH6
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BU of 6yh6 by Molmil
Crystal structure of chimeric carbonic anhydrase XII with 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide
分子名称: 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2020-03-28
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Switching the Inhibitor-Enzyme Recognition Profile via Chimeric Carbonic Anhydrase XII.
Chemistryopen, 10, 2021
4HU1
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BU of 4hu1 by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with the inhibitor.
分子名称: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-11-02
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
4HT0
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BU of 4ht0 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with the inhibitor.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-10-31
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
4HT2
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BU of 4ht2 by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with the inhibitor.
分子名称: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2012-10-31
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.
Bioorg.Med.Chem., 21, 2013
5OGO
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BU of 5ogo by Molmil
Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
著者Smirnov, A, Manakova, E, 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 (0.99 Å)
主引用文献Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
5OHH
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BU of 5ohh by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
分子名称: 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2017-07-17
公開日2018-08-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To be published
7PUU
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BU of 7puu by Molmil
Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-09-30
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUW
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BU of 7puw by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-chloro-4-[(2-phenylethyl)sulfanyl]-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-09-30
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7PUV
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BU of 7puv by Molmil
Crystal structure of carbonic anhydrase XII with methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-09-30
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0C
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BU of 7q0c by Molmil
Mimic carbonic anhydrase IX in complex with Methyl 2-chloro-4-(cyclohexylsulfanyl)-5-sulfamoylbenzoate
分子名称: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0D
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BU of 7q0d by Molmil
Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
7Q0E
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BU of 7q0e by Molmil
Human Carbonic Anhydrase II in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
分子名称: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
登録日2021-10-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
5OS9
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BU of 5os9 by Molmil
Structure of the B3 DNA-Binding Domain of NGA1
分子名称: B3 domain-containing transcription factor NGA1
著者Sasnauskas, G, Manakova, E.
登録日2017-08-17
公開日2018-09-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献DNA recognition by Arabidopsis transcription factors ABI3 and NGA1.
FEBS J., 285, 2018

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