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1YDB
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BU of 1ydb by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1994-12-22
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995
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
1YDA
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BU of 1yda by Molmil
STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ...
Authors:Nair, S.K, Christianson, D.W.
Deposit date:1994-12-22
Release date:1995-02-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of inhibitor affinity to variants of human carbonic anhydrase II.
Biochemistry, 34, 1995
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
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
7Q0D
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BU of 7q0d by Molmil
Human carbonic anhydrase I in complex with Methyl 2-(benzenesulfonyl)-4-chloro-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-10-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite: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
Descriptor: ACETATE ION, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-10-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.12 Å)
Cite: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
Descriptor: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Paketuryte-Latve, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-10-14
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
4HEZ
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BU of 4hez by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 1-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3446 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEW
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BU of 4hew by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 2-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6984 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
4HEY
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BU of 4hey by Molmil
Activity Enhancers of H64A Variant of Human Carbonic Anhydrase II Possess Multiple Binding Sites within and around the Enzyme Structure
Descriptor: 4-METHYLIMIDAZOLE, Carbonic anhydrase 2, ZINC ION
Authors:Aggarwal, M, McKenna, R.
Deposit date:2012-10-04
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.
IUCrJ, 1, 2014
7PUU
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BU of 7puu by Molmil
Crystal structure of carbonic anhydrase XII with methyl 4-chloro-2-cyclohexylsulfanyl-5-sulfamoylbenzoate
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, ZINC ION, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 12, DI(HYDROXYETHYL)ETHER, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-09-30
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX.
Int J Mol Sci, 23, 2021
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
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
7QNV
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BU of 7qnv by Molmil
human carbonic anhydrase II bound to 3-methylbenzoselenoate
Descriptor: 3-methylbenzoselenoate, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-12-22
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Benzoselenoates: A novel class of carbonic anhydrase inhibitors.
Bioorg.Chem., 122, 2022
4C3T
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BU of 4c3t by Molmil
The Carbonic anhydrase from Thermovibrio ammonificans reveals an interesting intermolecular disulfide contributing to increasing thermal stability of this enzyme
Descriptor: CARBONATE DEHYDRATASE, CHLORIDE ION, ZINC ION
Authors:James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.
Deposit date:2013-08-27
Release date:2014-09-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:The Structure of a Tetrameric [Alpha]-Carbonic Anhydrase from Thermovibrio Ammonificans Reveals a Core Formed Around Intermolecular Disulfides that Contribute to its Thermostability
Acta Crystallogr.,Sect.D, 70, 2014
4CNW
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BU of 4cnw by Molmil
Surface residue engineering of bovine carbonic anhydrase to an extreme halophilic enzyme for potential application in postcombustion CO2 capture
Descriptor: CALCIUM ION, CARBONIC ANHYDRASE 2, ZINC ION
Authors:Warden, A, Newman, J, Peat, T.S, Seabrook, S, Williams, M, Dojchinov, G, Haritos, V.
Deposit date:2014-01-25
Release date:2015-02-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Rational Engineering of a Mesohalophilic Carbonic Anhydrase to an Extreme Halotolerant Biocatalyst.
Nat.Commun., 6, 2015
4E3F
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BU of 4e3f by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2,6-DIHYDROXYBENZOIC ACID, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ...
Authors:Cohen, S.M, Martin, D.P.
Deposit date:2012-03-09
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
4E3D
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BU of 4e3d by Molmil
Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Descriptor: 2,5-dihydroxybenzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Cohen, S.M.
Deposit date:2012-03-09
Release date:2012-06-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors
Chem.Commun.(Camb.), 48, 2012
7AEQ
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BU of 7aeq by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-4-(2-hydroxyethylsulfanyl)-N-methyl-benzenesulfonamide
Descriptor: 2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{N}-methyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SODIUM ION, ...
Authors:Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2020-09-18
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021
7AES
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BU of 7aes by Molmil
Human carbonic anhydrase II in complex with 2,3,5,6-tetrafluoro-N-methyl-4-propylsulfanyl-benzenesulfonamide
Descriptor: 2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
Authors:Paketuryte, V, Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2020-09-18
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and mechanism of secondary sulfonamide binding to carbonic anhydrases.
Eur.Biophys.J., 50, 2021

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数据于2024-07-31公开中

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