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7BEZ
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BU of 7bez by Molmil
Zinc bound domain 3 of carbonic anhydrase from marine diatom Thalassiosira weissflogii
Descriptor: Cadmium-specific carbonic anhydrase, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2021-01-06
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Zeta-carbonic anhydrases show CS 2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms?
Comput Struct Biotechnol J, 19, 2021
7BF0
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BU of 7bf0 by Molmil
Zn-bound domain 3 of CDCA1 in complex with carbon dioxide
Descriptor: CARBON DIOXIDE, CHLORIDE ION, Cadmium-specific carbonic anhydrase, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2020-12-30
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Zeta-carbonic anhydrases show CS 2 hydrolase activity: A new metabolic carbon acquisition pathway in diatoms?
Comput Struct Biotechnol J, 19, 2021
7BFA
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BU of 7bfa by Molmil
4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-01-02
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BG5
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BU of 7bg5 by Molmil
4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-01-05
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7BHH
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BU of 7bhh by Molmil
4-(2-(3-(4-iodophenyl)selenoureido)ethyl)benzenesulfonamide in complex with Carbonic Anhydrase II
Descriptor: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-01-11
Release date:2022-03-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
4BF6
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BU of 4bf6 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-(3-Cyanophenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(3-cyanophenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, GLYCEROL, ...
Authors:Tars, K, Leitans, J, Zalubovskis, R.
Deposit date:2013-03-15
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
4BCW
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BU of 4bcw by Molmil
Carbonic anhydrase IX mimic in complex with (E)-2-(5-bromo-2- hydroxyphenyl)ethenesulfonic acid
Descriptor: (E)-2-(5-BROMO-2-HYDROXYPHENYL)ETHENESULFONIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Tars, K, Leitans, J, Kazaks, A.
Deposit date:2012-10-03
Release date:2013-02-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
4BF1
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BU of 4bf1 by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide
Descriptor: 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide, CARBONIC ANHYDRASE 2, SODIUM ION, ...
Authors:Tars, K, Leitans, J, Zalubovskis, R.
Deposit date:2013-03-13
Release date:2014-01-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:5-Substituted-(1,2,3-Triazol-4-Yl)Thiophene-2-Sulfonamides Strongly Inhibit Human Carbonic Anhydrases I, II, Ix and Xii: Solution and X-Ray Crystallographic Studies.
Bioorg.Med.Chem., 21, 2013
7O2S
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BU of 7o2s by Molmil
Crystal structure of a tetrameric form of Carbonic anhydrase from Schistosoma mansoni
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Carbonic anhydrase, ...
Authors:Ferraroni, M, Angeli, A.
Deposit date:2021-03-31
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7O48
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BU of 7o48 by Molmil
Crystal structure of carbonic anhydrase from schistosoma mansoni with 4-(2-(3-(4-iodophenyl)thioureido)ethyl)benzenesulfonamide
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-04-05
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7OA1
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BU of 7oa1 by Molmil
Crystal structure of alfa carbonic anhydrase from Schistosoma mansoni with 4-(2-(3-(4-iodophenyl)ureido)ethyl)benzenesulfonamide
Descriptor: 1-(4-iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Angelil, A, Ferraroni, M.
Deposit date:2021-04-18
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Insights into Schistosoma mansoni Carbonic Anhydrase (SmCA) Inhibition by Selenoureido-Substituted Benzenesulfonamides.
J.Med.Chem., 64, 2021
7OK8
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BU of 7ok8 by Molmil
Crystal structure of human carbonic anhydrase II with 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide
Descriptor: 4-((2-hydroxy-3-(phenylselanyl)propyl)thio)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-05-17
Release date:2022-06-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7P1A
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BU of 7p1a by Molmil
Carbonic Anhydrase VII Sultam Based Inhibitors
Descriptor: 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2021-07-01
Release date:2021-11-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain.
Eur.J.Med.Chem., 227, 2021
7ORQ
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BU of 7orq by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
Descriptor: 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-06-06
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7ORP
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BU of 7orp by Molmil
crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide
Descriptor: 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-06-06
Release date:2022-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action.
Eur.J.Med.Chem., 225, 2021
7QBH
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BU of 7qbh by Molmil
Selenocarbamates as a novel prodrug-based approach towards Carbonic Anhydrase inhibition (hCA II)
Descriptor: Carbonic anhydrase 2, ZINC ION, phenylmethaneselenol
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-11-19
Release date:2022-03-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.223 Å)
Cite:Selenocarbamates As a Prodrug-Based Approach to Carbonic Anhydrase Inhibition.
Chemmedchem, 17, 2022
7PLF
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BU of 7plf by Molmil
Human Carbonic Anhydrase I in complex with clorsulon
Descriptor: 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase 1, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-08-31
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.461 Å)
Cite:Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Acta Crystallogr D Struct Biol, 78, 2022
7PRI
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BU of 7pri by Molmil
Carbonic Anhydrase from Schistosoma Mansoni in complex with clorsulon
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide, Carbonic anhydrase, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-09-21
Release date:2022-10-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.679 Å)
Cite:Inhibition of Schistosoma mansoni carbonic anhydrase by the antiparasitic drug clorsulon: X-ray crystallographic and in vitro studies.
Acta Crystallogr D Struct Biol, 78, 2022
5CXK
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BU of 5cxk by Molmil
Crystal structure of beta carbonic anhydrase from Vibrio cholerae
Descriptor: BICARBONATE ION, Carbonic anhydrase, ZINC ION
Authors:Ferraroni, M, Supuran, C.
Deposit date:2015-07-29
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and kinetic studies of a tetrameric type II beta-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.
Acta Crystallogr.,Sect.D, 71, 2015
2Q1B
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BU of 2q1b by Molmil
Carbonic Anhydrase II in Complex with Saccharin
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Klebe, G, Heine, A, Koehler, K.
Deposit date:2007-05-24
Release date:2007-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
2POU
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BU of 2pou by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide
Descriptor: 4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
2Q38
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BU of 2q38 by Molmil
Carbonic Anhydrase II in complex with Saccharin at 1.95 Angstrom
Descriptor: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Schulze Wischeler, J, Heine, A, Klebe, G.
Deposit date:2007-05-30
Release date:2007-10-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Saccharin Inhibits Carbonic Anhydrases: Possible Explanation for its Unpleasant Metallic Aftertaste.
Angew.Chem.Int.Ed.Engl., 46, 2007
2POW
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BU of 2pow by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
Descriptor: 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
2POV
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BU of 2pov by Molmil
The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide
Descriptor: 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Alterio, V, De Simone, G.
Deposit date:2007-04-27
Release date:2007-07-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies.
Bioorg.Med.Chem.Lett., 17, 2007
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
Authors:Peat, T.S, Supuran, C.
Deposit date:2016-09-26
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016

219869

數據於2024-05-15公開中

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