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9CA2
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BU of 9ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
5HPJ
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BU of 5hpj by Molmil
Photobacterium profundum alpha-carbonic anhydrase
Descriptor: CHLORIDE ION, Carbonic anhydrase, ZINC ION
Authors:Somalinga, V, Buhrman, G.
Deposit date:2016-01-20
Release date:2016-12-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A High-Resolution Crystal Structure of a Psychrohalophilic alpha-Carbonic Anhydrase from Photobacterium profundum Reveals a Unique Dimer Interface.
PLoS ONE, 11, 2016
1EOU
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BU of 1eou by Molmil
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH AN ANTICONVULSANT SUGAR SULFAMATE
Descriptor: CARBONIC ANHYDRASE II (CA II), SULFAMIC ACID 2,3-O-(1-METHYLETHYLIDENE)-4,5-O-SULFONYL-BETA-FRUCTOPYRANOSE ESTER, ZINC ION
Authors:Recacha, R, Costanzo, M.J, Maryanoff, B.E, Chattopadhyay, D.
Deposit date:2000-03-24
Release date:2002-02-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human carbonic anhydrase II complexed with an anti-convulsant sugar sulphamate.
Biochem.J., 361, 2002
4UOV
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The structure of a tetrameric alpha-carbonic anhydrase from Thermovibrio ammonificans reveals a core formed around intermolecular disulfides, which contribute to its thermostability.
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ...
Authors:James, P, Isupov, M, Sayer, C, Berg, S, Lioliou, M, Kotlar, H, Littlechild, J.
Deposit date:2014-06-10
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 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
8ZWV
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BU of 8zwv by Molmil
The Crystal Structure of carbonic anhydrase II from Biortus.
Descriptor: 1,2-ETHANEDIOL, Carbonic anhydrase 2, ZINC ION, ...
Authors:Wang, F, Cheng, W, Lv, Z, Ju, C, Bao, C.
Deposit date:2024-06-13
Release date:2024-07-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The Crystal Structure of carbonic anhydrase II from Biortus.
To Be Published
8IGF
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BU of 8igf by Molmil
Crystal Structure of Human Carbonic Anhydrase II In-complex with 4-Acetylphenylboronic acid at 2.6 A Resolution
Descriptor: (4-ethanoylphenyl)boronic acid, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rasheed, S, Huda, N, Fisher, S.Z, Falke, S, Gul, S, Ahmad, M.S, Choudhary, M.I.
Deposit date:2023-02-20
Release date:2024-02-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification, crystallization, and first X-ray structure analyses of phenyl boronic acid-based inhibitors of human carbonic anhydrase-II.
Int.J.Biol.Macromol., 267, 2024
4WW6
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BU of 4ww6 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BICINE, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-10
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
6VJ3
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BU of 6vj3 by Molmil
Carbonic Anhydrase II in complex with pyrimidine-based inhibitor
Descriptor: 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Lomelino, C.L, McKenna, R.
Deposit date:2020-01-14
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 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
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
6D1L
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BU of 6d1l by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
Descriptor: 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
Deposit date:2018-04-12
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
6VKG
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BU of 6vkg by Molmil
Human carbonic anhydrase IX mimic with Epacadostat bound
Descriptor: N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, SULFATE ION, ZINC ION, ...
Authors:Peat, T.S, Carta, F, Supuran, C.T.
Deposit date:2020-01-20
Release date:2020-03-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.
Bioorg.Chem., 97, 2020
6D1M
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BU of 6d1m by Molmil
Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects
Descriptor: 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T.
Deposit date:2018-04-12
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects.
Eur J Med Chem, 154, 2018
7U5W
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BU of 7u5w by Molmil
Crystal Structure Analysis of human Carbonic anhydrase 2
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Crystal Structure Analysis of human Carbonic anhydrase 2
To Be Published
7U5X
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BU of 7u5x by Molmil
Crystal Structure Analysis of human Carbonic anhydrase 2
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-02
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystal Structure Analysis of human Carbonic anhydrase 2
To Be Published
4FU5
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BU of 4fu5 by Molmil
Carbonic Anhydrase II in complex with N-[(2Z)-1,3-oxazolidin-2-ylidene]sulfuric diamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-28
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:HIgh resolution crystal structures of Carbonic Anhzdrase II in complex with nonvel sulfamide binders
To be Published
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
4G0C
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BU of 4g0c by Molmil
Neutron structure of acetazolamide-bound human carbonic anhydrase II reveal molecular details of drug binding.
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Fisher, S.Z, McKenna, R, Aggarwal, M.
Deposit date:2012-07-09
Release date:2012-09-19
Last modified:2023-09-13
Method:NEUTRON DIFFRACTION (2 Å)
Cite:Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding.
J.Am.Chem.Soc., 134, 2012
3V3H
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BU of 3v3h by Molmil
Kinetic and structural studies of thermostabilized mutants of HCA II.
Descriptor: CHLORIDE ION, Carbonic anhydrase 2, ZINC ION
Authors:Boone, C.D, Fisher, S.Z, McKenna, R.
Deposit date:2011-12-13
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II.
Protein Eng.Des.Sel., 25, 2012
7ZL6
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BU of 7zl6 by Molmil
Azosemide in complex with human Carbonic anhydrase II (hCA II)
Descriptor: Azosemide, Carbonic anhydrase 2, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-04-14
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
7ZL5
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BU of 7zl5 by Molmil
Azosemide in complex with Carbonic Anhydrase I
Descriptor: Azosemide, Carbonic anhydrase 1, DIMETHYL SULFOXIDE, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-04-14
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor
J.Mol.Struct., 1268, 2022
7ZWB
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BU of 7zwb by Molmil
human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide
Descriptor: 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Angeli, A, Ferraroni, M.
Deposit date:2022-05-19
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
4GL1
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BU of 4gl1 by Molmil
Structure of H64A/N62L/N67L Human Carbonic Anhydrase II triple mutant
Descriptor: Carbonic anhydrase 2, ZINC ION
Authors:West, D.M.
Deposit date:2012-08-13
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hydrophobicity and low pKa impact catalytic efficiency of Human Carbonic Anhydrases
To be Published
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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