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6R6F
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BU of 6r6f by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide
Descriptor: 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-03-27
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QUT
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BU of 6qut by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-28
Release date:2020-03-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QQM
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BU of 6qqm by Molmil
Crystal structure of the alpha carbonic anhydrase from Schistosoma mansoni
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Putative carbonic anhydrase, ...
Authors:Ferraroni, M, Angeli, A, Supuran, C.T.
Deposit date:2019-02-18
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
6QNL
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BU of 6qnl by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Authors:Dvinskis, E, Leitans, J, Tars, K.
Deposit date:2019-02-11
Release date:2020-03-04
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QNG
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BU of 6qng by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(cyclohexylamino)-5-sulfamoyl-benzamide
Authors:Dvinskis, E, Leitans, J, Tars, K.
Deposit date:2019-02-11
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
To Be Published
6QN6
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BU of 6qn6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN5
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BU of 6qn5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide, Carbonic anhydrase 9, ZINC ION
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN2
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BU of 6qn2 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 9, ZINC ION, methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate
Authors:Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QN0
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BU of 6qn0 by Molmil
Three dimensional structure of human carbonic anhydrase XII in complex with benzenesulfonamide
Descriptor: Carbonic anhydrase 12, ZINC ION, ~{N}-butyl-4-chloranyl-2-(2-phenylethylsulfanyl)-5-sulfamoyl-benzamide
Authors:Dvinskis, E, Leitans, J, Tars, K.
Deposit date:2019-02-08
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms.
Eur.J.Med.Chem., 185, 2020
6QL3
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BU of 6ql3 by Molmil
Crystal structure of chimeric carbonic anhydrase VI with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BENZOIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-01-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
6QL2
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BU of 6ql2 by Molmil
Crystal structure of chimeric carbonic anhydrase VI with ethoxzolamide.
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-ethoxy-1,3-benzothiazole-2-sulfonamide, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-01-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
6QL1
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BU of 6ql1 by Molmil
Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2019-01-31
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Engineered Carbonic Anhydrase VI-Mimic Enzyme Switched the Structure and Affinities of Inhibitors.
Sci Rep, 9, 2019
6QFX
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BU of 6qfx by Molmil
Human carbonic anhydrase II with bound IrCp* complex (cofactor 10) to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rebelein, J.G.
Deposit date:2019-01-10
Release date:2019-04-17
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFW
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BU of 6qfw by Molmil
Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide, Carbonic anhydrase 2, IRIDIUM ION, ...
Authors:Rebelein, J.G.
Deposit date:2019-01-10
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFV
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BU of 6qfv by Molmil
Human carbonic anhydrase II with bound IrCp* complex (cofactor 8) to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rebelein, J.G.
Deposit date:2019-01-10
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QFU
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BU of 6qfu by Molmil
Human carbonic anhydrase II with bound IrCp* complex (cofactor 7) to generate an artificial transfer hydrogenase (ATHase)
Descriptor: 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, SULFATE ION, ...
Authors:Rebelein, J.G.
Deposit date:2019-01-10
Release date:2019-04-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein.
Acs Catalysis, 9, 2019
6QEB
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BU of 6qeb by Molmil
Assessment of a large enzyme-drug complex by proton-detected solid-state NMR without deuteration
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Vasa, S.K.
Deposit date:2019-01-07
Release date:2019-02-06
Last modified:2023-06-14
Method:SOLID-STATE NMR
Cite:Assessment of a Large Enzyme-Drug Complex by Proton-Detected Solid-State NMR Spectroscopy without Deuteration.
Angew.Chem.Int.Ed.Engl., 58, 2019
6Q9T
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BU of 6q9t by Molmil
Protein-aromatic foldamer complex crystal structure
Descriptor: 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ...
Authors:Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I.
Deposit date:2018-12-18
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas.
Chemistry, 25, 2019
6Q3O
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BU of 6q3o by Molmil
PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE
Descriptor: 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, 8-azanyl-4-(3-azanylpropoxy)quinoline-2-carboxylic acid, Carbonic anhydrase 2, ...
Authors:Zeberko, C, Langlois d'Estaintot, B, Fischer, L, Granier, T, Kauffmann, B, Huc, I.
Deposit date:2018-12-04
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:PROTEIN-AROMATIC FOLDAMER COMPLEX CRYSTAL STRUCTURE
To Be Published
6PGX
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BU of 6pgx by Molmil
Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity
Descriptor: 4-[(2S)-2-hydroxy-3-{[(2R)-2-hydroxy-3-(4-sulfamoylphenoxy)propyl]tellanyl}propoxy]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-06-25
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Synthesis of novel tellurides bearing benzensulfonamide moiety as carbonic anhydrase inhibitors with antitumor activity.
Eur.J.Med.Chem., 181, 2019
6PEA
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BU of 6pea by Molmil
High Resolution Apo Carbonic Anhydrase II
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2
Authors:Andring, J.T, McKenna, R.
Deposit date:2019-06-20
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
6PDV
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BU of 6pdv by Molmil
Cu-Carbonic Anhydrase II, A Nitrite Reductase
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ...
Authors:Andring, J.T, McKenna, R.
Deposit date:2019-06-19
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
6OUM
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BU of 6oum by Molmil
Carbonic Anhydrase IX mimic complexed with benzene sulfonamide MB10-580B
Descriptor: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.559 Å)
Cite:Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB10-580B
To Be Published
6OUK
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BU of 6ouk by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
Descriptor: (2Z)-2-(hydroxyimino)-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Carbonic Anhydrase II complexed with benzene sulfonamide MB10-580B
To Be Published
6OUJ
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BU of 6ouj by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A
Descriptor: 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Kota, A, McKenna, R.
Deposit date:2019-05-04
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.466 Å)
Cite:Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A
To Be Published

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數據於2024-06-12公開中

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