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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
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
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
5FL4
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BU of 5fl4 by Molmil
Three dimensional structure of human carbonic anhydrase IX 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, ACETIC ACID, CARBONIC ANHYDRASE 9, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
5FL6
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BU of 5fl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, ACETIC ACID, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
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
7PNL
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BU of 7pnl by Molmil
Complex between monomolecular human telomeric G-quadruplex and a sulfonamide derivative of the natural alkaloid Berberine
Descriptor: 4-[[1-[3-[(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15,17,19-octaen-16-yl)oxy]propyl]triazol-4-yl]methoxy]benzenesulfonamide, G-guadruplex DNA (23-mer), POTASSIUM ION
Authors:Bazzicalupi, C, Gratteri, P, Petreni, A, Nocentini, A.
Deposit date:2021-09-07
Release date:2022-09-21
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Development of a multi-targeted chemotherapeutic approach based on G-quadruplex stabilisation and carbonic anhydrase inhibition.
J Enzyme Inhib Med Chem, 39, 2024
5FL5
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BU of 5fl5 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ...
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-10-21
Release date:2015-11-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix.
J.Med.Chem., 58, 2015
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
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
3V7X
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BU of 3v7x by Molmil
Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
Descriptor: Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ...
Authors:Mader, P, Brynda, J, Rezacova, P.
Deposit date:2011-12-22
Release date:2012-04-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
3VBD
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BU of 3vbd by Molmil
Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide
Descriptor: 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Mader, P, Brynda, J, Rezacova, P.
Deposit date:2012-01-02
Release date:2012-04-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
3T83
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BU of 3t83 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose, 2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose, Carbonic anhydrase 2, ...
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3T85
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BU of 3t85 by Molmil
Human Carbonic Anhydrase II in complex with Acetylated Carbohydrate Sulfamates
Descriptor: 3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose, Carbonic anhydrase 2, ZINC ION
Authors:Hofmann, A, Wang, C.K.
Deposit date:2011-08-01
Release date:2011-10-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors.
J.Am.Chem.Soc., 133, 2011
3UK8
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BU of 3uk8 by Molmil
The crystal structure of the cd-bound domain 3 of the cadmium carbonic anhydrase from marine diatom Thalassiosira weissflogii
Descriptor: ACETATE ION, CADMIUM ION, Cadmium-specific carbonic anhydrase
Authors:Alterio, V, De Simone, G.
Deposit date:2011-11-09
Release date:2012-07-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii.
Biochimie, 94, 2012
6OE0
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BU of 6oe0 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6OE1
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BU of 6oe1 by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
6ODZ
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BU of 6odz by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
Descriptor: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S.
Deposit date:2019-03-27
Release date:2019-06-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
3V5G
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BU of 3v5g by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 4-sulfamido-benzenesulfonamide inhibitor
Descriptor: 4-(HYDROXYMERCURY)BENZOIC ACID, 4-(sulfamoylamino)benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2011-12-16
Release date:2012-07-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups.
J.Med.Chem., 55, 2012
5AMG
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BU of 5amg by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(Pentylsulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-(PENTYLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
5AML
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BU of 5aml by Molmil
Three dimensional structure of human carbonic anhydrase II in complex with 2-(But-2-yn-1-ylsulfamoyl)-4-sulfamoylbenzoic acid
Descriptor: 2-(BUT-2-YN-1-YLSULFAMOYL)-4-SULFAMOYLBENZOIC ACID, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Leitans, J, Tars, K, Zalubovskis, R.
Deposit date:2015-03-10
Release date:2015-04-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:X-Ray Crystallography-Promoted Drug Design of Carbonic Anhydrase Inhibitors.
Chem.Commun.(Camb.), 51, 2015
4ILX
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BU of 4ilx by Molmil
Structure of human carbonic anhydrase II in complex with an adamantyl sulfonamide inhibitor
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-01-01
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013
5CJF
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BU of 5cjf by Molmil
The crystal structure of the human carbonic anhydrase XIV in complex with a 1,1'-biphenyl-4-sulfonamide inhibitor.
Descriptor: 4'-(4-aminobenzoyl)biphenyl-4-sulfonamide, Carbonic anhydrase 14, GLYCEROL, ...
Authors:Alterio, V, De Simone, G.
Deposit date:2015-07-14
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of 1,1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors.
J.Med.Chem., 58, 2015
4ITP
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BU of 4itp by Molmil
Structure of human carbonic anhydrase II bound to a benzene sulfonamide
Descriptor: 2-phenyl-N-(4-sulfamoylbenzyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Biswas, S, McKenna, R.
Deposit date:2013-01-18
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition.
Bioorg.Med.Chem., 21, 2013

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