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6SX9
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BU of 6sx9 by Molmil
Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
Descriptor: 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-09-25
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of carbonic anhydrase 2 with 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
To Be Published
6SG6
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BU of 6sg6 by Molmil
Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Human Carbonic Anhydrase II in complex with furan-containing benzenesulfonamide
To Be Published
6SG0
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BU of 6sg0 by Molmil
Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:Gloeckner, S, Heine, A, Klebe, G.
Deposit date:2019-08-02
Release date:2020-08-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Atomic resolution structure of Human Carbonic Anhydrase II in complex with furosemide
To Be Published
8GPM
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BU of 8gpm by Molmil
Acinetobacter baumannii carbonic anhydrase
Descriptor: CALCIUM ION, Carbonic anhydrase, GLYCEROL, ...
Authors:Wen, Y, Jiao, M.
Deposit date:2022-08-26
Release date:2023-05-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Acinetobacter baumannii carbonic anhydrase
Structure, 2023
7NZT
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BU of 7nzt by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-03-24
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal structure of chimeric carbonic anhydrase VA
To Be Published
7NZU
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BU of 7nzu by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-03-24
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal structure of chimeric carbonic anhydrase VA
To Be Published
7NZS
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BU of 7nzs by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-03-24
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of chimeric carbonic anhydrase VA
To Be Published
7NZX
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BU of 7nzx by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-03-24
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal structure of chimeric carbonic anhydrase VA
To Be Published
7NZW
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BU of 7nzw by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide
Descriptor: 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-03-24
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of chimeric carbonic anhydrase VA
To Be Published
7NZR
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BU of 7nzr by Molmil
Crystal structure of chimeric carbonic anhydrase VA with 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
Descriptor: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2021-03-24
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.284 Å)
Cite:Crystal structure of chimeric carbonic anhydrase VA
To Be Published
4WL4
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BU of 4wl4 by Molmil
Crystal structure of human carbonic anhydrase II in complex with the 6-hydroxy-chromene-2-thione inhibitor
Descriptor: 1,2-ETHANEDIOL, 6-hydroxy-2H-chromene-2-thione, Carbonic anhydrase 2, ...
Authors:Ferraroni, M.
Deposit date:2014-10-06
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
6SYS
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BU of 6sys by Molmil
Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
Descriptor: (4~{S})-4-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, GLYCEROL, ZINC ION, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2019-10-01
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of (3aR,4S,9bS)-4-(4-hydroxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide with carbonic anhydrase 2
To Be Published
7SMK
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BU of 7smk by Molmil
H. neapolitanus carboxysomal rubisco/CsoSCA-peptide (1-50)complex
Descriptor: Carboxysome shell carbonic anhydrase, Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain
Authors:Blikstad, C, Dugan, E, Laughlin, T.G, Liu, M, Shoemaker, S, Remis, J, Savage, D.F.
Deposit date:2021-10-26
Release date:2023-05-24
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (1.98 Å)
Cite:Identification of a carbonic anhydrase-Rubisco complex within the alpha-carboxysome.
Proc.Natl.Acad.Sci.USA, 120, 2023
4QY3
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BU of 4qy3 by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX of HCAII WITH AN ORTHO-SUBSTITUTED BENZOIC ACID
Descriptor: 2-[(S)-benzylsulfinyl]benzoic acid, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2014-07-23
Release date:2014-12-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Out of the active site binding pocket for carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 51, 2014
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
6YRI
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BU of 6yri by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID
Descriptor: CAFFEIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
Authors:D'Ambrosio, K, De Simone, G.
Deposit date:2020-04-20
Release date:2021-03-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Catechols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 56, 2020
4RH2
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BU of 4rh2 by Molmil
Crystal structure of human carbonic anhydrase II in complex with 2-(6-hydroxy-3-Oxo-3H-xanthen-9-yl)-5-{3-1-(4-sulfamoyl-phenyl)-1h-[1,2,3]triazol-4-ylmethyl-thioureido}-benzoic acid
Descriptor: 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Ferraroni, M.
Deposit date:2014-10-01
Release date:2015-11-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:New classes of carbonic anhydrase inhibitors
to be published
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
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
Descriptor: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide
To be published
5MSA
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BU of 5msa by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, CITRIC ACID, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2017-01-02
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of human carbonic anhydrase isozyme XII with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
To be published
8BJX
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BU of 8bjx by Molmil
Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
Descriptor: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-11-08
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.283 Å)
Cite:Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide
To Be Published
8CDZ
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BU of 8cdz by Molmil
human carbonic anhydrase I complexed with 4-(3-butylureido)benzenesulfonamide
Descriptor: 1-butyl-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-02-01
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:human carbonic anhydrase I complexed with 4-(3-butylureido)benzenesulfonamide
To Be Published
8BZZ
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BU of 8bzz by Molmil
Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide
Descriptor: 4-(dimethylamino)-~{N}-nitro-benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-12-15
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Crystal structure of carbonic anhydrase 2 4-(dimethylamino)-N-nitrobenzenesulfonamide
To Be Published
8CDX
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BU of 8cdx by Molmil
Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide
Descriptor: 1-ethyl-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2023-02-01
Release date:2024-02-21
Method:X-RAY DIFFRACTION (1.335 Å)
Cite:Human carbonic anhydrase I complexed with 4-(3-ethylureido)benzenesulfonamide
To Be Published
6ZR8
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BU of 6zr8 by Molmil
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
Descriptor: 2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G, D'Ambrosio, K.
Deposit date:2020-07-11
Release date:2021-06-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
New J.Chem., 45, 2021

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PDB entries from 2024-06-26

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