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3KOI
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BU of 3koi by Molmil
Crystal structure of cobalt (III) human carbonic anhydrase II at pH 6.0
Descriptor: COBALT (III) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
3KON
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BU of 3kon by Molmil
Crystal structure of cobalt (II) human carbonic anhydrase II at pH 11.0
Descriptor: COBALT (II) ION, Carbonic anhydrase 2
Authors:Avvaru, B.S.
Deposit date:2009-11-13
Release date:2010-08-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of solution and crystal properties of Co(II)-substituted human carbonic anhydrase II.
Arch.Biochem.Biophys., 502, 2010
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
Descriptor: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUX
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BU of 4rux by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
Descriptor: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4WAK
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BU of 4wak by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, POTASSIUM ION, ...
Authors:Hoffmann, K.M, Rowlett, R.S.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WAM
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BU of 4wam by Molmil
H. influenzae beta-carbonic anhydrase variant W39V/G41A/P48S/A49P
Descriptor: PHOSPHATE ION, ZINC ION, beta-carbonic anhydrase
Authors:Rowlett, R.S, Hoffman, K.M.
Deposit date:2014-08-29
Release date:2014-12-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Allosteric Reversion of Haemophilus influenzae beta-Carbonic Anhydrase via a Proline Shift.
Biochemistry, 54, 2015
4WUQ
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BU of 4wuq by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-piperidin-1-ylbenzenesulfonamide
Descriptor: 2,3,5,6-tetrafluoro-4-(piperidin-1-yl)benzenesulfonamide, Carbonic anhydrase 1, DI(HYDROXYETHYL)ETHER, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-11-03
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
5T75
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BU of 5t75 by Molmil
Human carbonic anhydrase II G132C_C206S double mutant in complex with SA-2
Descriptor: 4-[(E)-(4-aminophenyl)diazenyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:DuBay, K.H, Iwan, K, Osorio-Planes, L, Geissler, P, Groll, M, Trauner, D, Broichhagen, J.
Deposit date:2016-09-02
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity.
ACS Chem. Biol., 13, 2018
4X5S
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BU of 4x5s by Molmil
The crystal structure of an alpha carbonic anhydrase from the extremophilic bacterium Sulfurihydrogenibium azorense.
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase (Carbonate dehydratase), ...
Authors:De Simone, G, Alterio, V, Di Fiore, A.
Deposit date:2014-12-05
Release date:2015-05-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense.
Bioorg.Med.Chem.Lett., 25, 2015
2FOU
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BU of 2fou by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: COPPER (II) ION, Carbonic Anhydrase II, GLYCEROL, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOV
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BU of 2fov by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: ACETONITRILE, COPPER (II) ION, Carbonic Anhydrase II, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-14
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FOS
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BU of 2fos by Molmil
Human Carbonic Anhydrase II complexed with two-prong inhibitors
Descriptor: COPPER (II) ION, Carbonic Anhydrase II, ZINC ION, ...
Authors:Jude, K.M, Christianson, D.W.
Deposit date:2006-01-13
Release date:2006-04-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with two-prong inhibitors reveal the molecular basis of high affinity.
J.Am.Chem.Soc., 128, 2006
2FNN
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BU of 2fnn by Molmil
Activation of human carbonic anhydrase II by exogenous proton donors
Descriptor: 4-METHYLIMIDAZOLE, Carbonic Anhydrase 2, ZINC ION
Authors:Bhatt, D, Fisher, S.Z, Tu, C, McKenna, R, Silverman, D.N.
Deposit date:2006-01-11
Release date:2006-11-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Location of binding sites in small molecule rescue of human carbonic anhydrase II.
Biophys.J., 92, 2007
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
4WR7
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BU of 4wr7 by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 2,3,5,6-Tetrafluoro-4-(propylthio)benzenesulfonamide.
Descriptor: 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-(propylsulfanyl)benzenesulfonamide, ACETATE ION, ...
Authors:Manakova, E, Smirnov, A, Grazulis, S.
Deposit date:2014-10-23
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
4WUP
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BU of 4wup by Molmil
Crystal structure of human carbonic anhydrase isozyme I with 4-[(2-Hydroxyethyl)thio]benzenesulfonamide
Descriptor: 4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ...
Authors:Smirnov, A, Manakova, E, Grazulis, S.
Deposit date:2014-11-03
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
5SWC
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BU of 5swc by Molmil
The structure of the beta-carbonic anhydrase CcaA
Descriptor: CHLORIDE ION, Carbonic anhydrase, FORMIC ACID, ...
Authors:Kimber, M.S, McGurn, L, White, S.A.
Deposit date:2016-08-08
Release date:2016-10-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure, kinetics and interactions of the beta-carboxysomal beta-carbonic anhydrase, CcaA.
Biochem. J., 473, 2016
4WW8
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BU of 4ww8 by Molmil
Crystal structure of human carbonic anhydrase isozyme XII with 4-Propylthiobenzenesulfonamide
Descriptor: 1,2-ETHANEDIOL, 4-(propylsulfanyl)benzenesulfonamide, Carbonic anhydrase 12, ...
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 (1.42 Å)
Cite:Intrinsic thermodynamics of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide binding to carbonic anhydrases by isothermal titration calorimetry.
Biophys.Chem., 205, 2015
7NH6
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BU of 7nh6 by Molmil
Crystal structure of human carbonic anhydrase II with 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide
Descriptor: 3-(3-((1-(2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)-1H-1,2,3-triazol-4-yl)methyl)ureido)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Angeli, A, Ferraroni, M.
Deposit date:2021-02-10
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Mechanisms of the Antiproliferative and Antitumor Activity of Novel Telomerase-Carbonic Anhydrase Dual-Hybrid Inhibitors.
J.Med.Chem., 64, 2021
7M26
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BU of 7m26 by Molmil
Human carbonic anhydrase II in complex with pioglitazone
Descriptor: (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M24
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BU of 7m24 by Molmil
Human carbonic anhydrase II in complex with (R)-rosiglitazone
Descriptor: (R)-ROSIGLITAZONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7M23
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BU of 7m23 by Molmil
Human carbonic anhydrase II in complex with troglitazone
Descriptor: (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION
Authors:Mueller, S.L, Peat, T.S.
Deposit date:2021-03-16
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening.
Molecules, 26, 2021
7NC4
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BU of 7nc4 by Molmil
Crystal structure of human carbonic anhydrase VII (hCA VII) in complex with a 4-(4-aroylpiperazine-1-carbonyl)benzenesulfonamide derivative.
Descriptor: 4-[4-(2-chlorophenyl)carbonylpiperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:Di Fiore, A, De Simone, G.
Deposit date:2021-01-28
Release date:2021-07-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII.
Bioorg.Med.Chem., 44, 2021
8DRB
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BU of 8drb by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
Descriptor: 3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-20
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023
8DR2
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BU of 8dr2 by Molmil
Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
Descriptor: 2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide, Carbonic anhydrase, SULFATE ION, ...
Authors:Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R.
Deposit date:2022-07-20
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Acs Med.Chem.Lett., 14, 2023

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