4XFW
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![BU of 4xfw by Molmil](/molmil-images/mine/4xfw) | Crystal structure of the monoclinic form of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori | Descriptor: | ACETIC ACID, Alpha-carbonic anhydrase, CHLORIDE ION, ... | Authors: | Compostella, M.E, Vallese, F, Berto, P, Zanotti, G. | Deposit date: | 2014-12-29 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.517 Å) | Cite: | Structure of alpha-carbonic anhydrase from the human pathogen Helicobacter pylori. Acta Crystallogr.,Sect.F, 71, 2015
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4Y0J
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5SZ2
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![BU of 5sz2 by Molmil](/molmil-images/mine/5sz2) | Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide | Descriptor: | 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ7
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![BU of 5sz7 by Molmil](/molmil-images/mine/5sz7) | Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5THJ
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![BU of 5thj by Molmil](/molmil-images/mine/5thj) | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5THI
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![BU of 5thi by Molmil](/molmil-images/mine/5thi) | Crystal Structure of 2-hydroxycyclohepta-2,4,6-trien-1-one bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-29 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5TI0
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![BU of 5ti0 by Molmil](/molmil-images/mine/5ti0) | Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2 L198G | Descriptor: | 2-hydroxycyclohepta-2,4,6-triene-1-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Dick, B, Cohen, S. | Deposit date: | 2016-09-30 | Release date: | 2017-04-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Effect of donor atom identity on metal-binding pharmacophore coordination. J. Biol. Inorg. Chem., 22, 2017
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5U0G
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![BU of 5u0g by Molmil](/molmil-images/mine/5u0g) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TUO
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![BU of 5tuo by Molmil](/molmil-images/mine/5tuo) | Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with 5-amino-1,3,4-thiadiazole-2-sulfonamide inhibitor. | Descriptor: | 5-AMINO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | Authors: | Modak, J.K, Roujeinikova, A. | Deposit date: | 2016-11-06 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase. J. Med. Chem., 59, 2016
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5U0E
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![BU of 5u0e by Molmil](/molmil-images/mine/5u0e) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TV3
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![BU of 5tv3 by Molmil](/molmil-images/mine/5tv3) | Crystal structure of the complex of Helicobacter pylori alpha-carbonic anhydrase with (E)-5-(((4-(tert-butyl)phenyl)sulfonyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide | Descriptor: | (5Z)-5-{[(4-tert-butylphenyl)sulfonyl]imino}-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide, Alpha-carbonic anhydrase, CHLORIDE ION, ... | Authors: | Modak, J.K, Roujeinikova, A. | Deposit date: | 2016-11-07 | Release date: | 2017-09-20 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Activity Relationship for Sulfonamide Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase. J. Med. Chem., 59, 2016
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5U0D
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![BU of 5u0d by Molmil](/molmil-images/mine/5u0d) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-2-sulfanylidene-1,3-oxazolidin-4-one, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TY8
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![BU of 5ty8 by Molmil](/molmil-images/mine/5ty8) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TY1
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![BU of 5ty1 by Molmil](/molmil-images/mine/5ty1) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, SODIUM ION, ... | Authors: | Peat, T.S. | Deposit date: | 2016-11-18 | Release date: | 2017-10-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5TY9
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![BU of 5ty9 by Molmil](/molmil-images/mine/5ty9) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-(2,4-dimethoxyphenyl)-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-18 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
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5SZ4
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![BU of 5sz4 by Molmil](/molmil-images/mine/5sz4) | Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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4YGF
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![BU of 4ygf by Molmil](/molmil-images/mine/4ygf) | Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Alpha-carbonic anhydrase, CHLORIDE ION, ... | Authors: | Roujeinikova, A, Modak, J.K. | Deposit date: | 2015-02-26 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for the Inhibition of Helicobacter pylori alpha-Carbonic Anhydrase by Sulfonamides. Plos One, 10, 2015
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5TFX
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5SZ0
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![BU of 5sz0 by Molmil](/molmil-images/mine/5sz0) | Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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5SZ5
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![BU of 5sz5 by Molmil](/molmil-images/mine/5sz5) | Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | Deposit date: | 2016-08-12 | Release date: | 2016-12-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.274 Å) | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity. Chembiochem, 18, 2017
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4YGJ
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![BU of 4ygj by Molmil](/molmil-images/mine/4ygj) | NaBr--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | BROMIDE ION, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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4YGN
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![BU of 4ygn by Molmil](/molmil-images/mine/4ygn) | NaI--Interactions between Hofmeister Anions and the Binding Pocket of a Protein | Descriptor: | Carbonic anhydrase 2, IODIDE ION, ZINC ION | Authors: | Fox, J.M, Kang, K, Sherman, W, Heroux, A, Sastry, G.M, Baghbanzadeh, M, Lockett, M.R, Whitesides, G.M. | Deposit date: | 2015-02-26 | Release date: | 2015-03-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Interactions between Hofmeister Anions and the Binding Pocket of a Protein. J.Am.Chem.Soc., 137, 2015
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5T71
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![BU of 5t71 by Molmil](/molmil-images/mine/5t71) | Human carboanhydrase F131C_C206S double mutant in complex with SA-2 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(HYDROXYMERCURY)BENZOIC ACID, 4-[(E)-diazenyl]benzene-1-sulfonamide, ... | 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 (1.3 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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5T75
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![BU of 5t75 by Molmil](/molmil-images/mine/5t75) | 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
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4YX4
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![BU of 4yx4 by Molmil](/molmil-images/mine/4yx4) | Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (1). | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | Authors: | Rechlin, C, Heine, A, Klebe, G. | Deposit date: | 2015-03-22 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies. J.Med.Chem., 59, 2016
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