6H37
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![BU of 6h37 by Molmil](/molmil-images/mine/6h37) | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenyl)-4-hydroxy-1-piperidine-1-carbonyl)benzenesulfonamide | Descriptor: | 4-(4-oxidanyl-4-phenyl-piperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6H3Q
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![BU of 6h3q by Molmil](/molmil-images/mine/6h3q) | Crystal structure of human carbonic anhydrase II in complex with the 4-(5-(chloromethyl)-1,3-selenazol-2-yl)benzenesulfonamide | Descriptor: | 4-[5-(chloromethyl)-1,3-selenazol-2-yl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Ferraroni, M, Angeli, A, Supuran, C. | Deposit date: | 2018-07-19 | Release date: | 2019-07-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Discovery of new 2, 5-disubstituted 1,3-selenazoles as selective human carbonic anhydrase IX inhibitors with potent anti-tumor activity. Eur.J.Med.Chem., 157, 2018
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6HD2
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![BU of 6hd2 by Molmil](/molmil-images/mine/6hd2) | |
7ZL6
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![BU of 7zl6 by Molmil](/molmil-images/mine/7zl6) | |
7ZL5
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![BU of 7zl5 by Molmil](/molmil-images/mine/7zl5) | 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
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6KM2
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![BU of 6km2 by Molmil](/molmil-images/mine/6km2) | Human Carbonic Anhydrase II V143I variant 15 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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6KM6
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![BU of 6km6 by Molmil](/molmil-images/mine/6km6) | Human Carbonic Anhydrase II native 15 atm CO2 | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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6HXD
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![BU of 6hxd by Molmil](/molmil-images/mine/6hxd) | Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide | Descriptor: | 4-butylbenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-10-17 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.119 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6HZX
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![BU of 6hzx by Molmil](/molmil-images/mine/6hzx) | Protein-aromatic foldamer complex crystal structure | Descriptor: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid, 6-(aminomethyl)pyridine-2-carboxylic acid, 8-azanyl-4-(2-hydroxy-2-oxoethyloxy)quinoline-2-carboxylic acid, ... | Authors: | Post, S, Langlois d'Estaintot, B, Fischer, L, Granier, T, Huc, I. | Deposit date: | 2018-10-24 | Release date: | 2019-09-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.91 Å) | Cite: | Structure Elucidation of Helical Aromatic Foldamer-Protein Complexes with Large Contact Surface Areas. Chemistry, 25, 2019
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6HQX
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![BU of 6hqx by Molmil](/molmil-images/mine/6hqx) | Human Carbonic Anhydrase II in complex with 4-Ethylbenzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-09-25 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.097 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6KM4
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![BU of 6km4 by Molmil](/molmil-images/mine/6km4) | Human Carbonic Anhydrase II native 07 atm CO2 | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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8B29
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![BU of 8b29 by Molmil](/molmil-images/mine/8b29) | Human carbonic anhydrase II containing 6-fluorotryptophanes. | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Pham, L.B.T, Costantino, A, Barbieri, L, Calderone, V, Luchinat, E, Banci, L. | Deposit date: | 2022-09-13 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Direct Expression of Fluorinated Proteins in Human Cells for 19 F In-Cell NMR Spectroscopy. J.Am.Chem.Soc., 145, 2023
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6KM1
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![BU of 6km1 by Molmil](/molmil-images/mine/6km1) | Human Carbonic Anhydrase II V143I variant 13 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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6I2F
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![BU of 6i2f by Molmil](/molmil-images/mine/6i2f) | Human Carbonic Anhydrase II in complex with 4-Propoxybenzenesulfonamide | Descriptor: | 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-11-01 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.198 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6I1U
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![BU of 6i1u by Molmil](/molmil-images/mine/6i1u) | Human Carbonic Anhydrase II in complex with 4-Ethoxybenzenesulfonamide | Descriptor: | 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-10-30 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6I3E
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![BU of 6i3e by Molmil](/molmil-images/mine/6i3e) | Human Carbonic Anhydrase II in complex with 4-Butylbenzenesulfonamide | Descriptor: | 4-butoxybenzenesulfonamide, CITRIC ACID, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2018-11-05 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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6KLZ
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![BU of 6klz by Molmil](/molmil-images/mine/6klz) | Human Carbonic Anhydrase II V143I variant 00 atm CO2 | Descriptor: | BICARBONATE ION, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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6KM5
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![BU of 6km5 by Molmil](/molmil-images/mine/6km5) | Human Carbonic Anhydrase II native 13 atm CO2 | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.151 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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8AAE
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![BU of 8aae by Molmil](/molmil-images/mine/8aae) | CAII in complex with para-carboran-propylsulfonamid | Descriptor: | Carbonic anhydrase 2, Para-Carborane propyl-sulfonamide, ZINC ION | Authors: | Brynda, J, Rezacova, P. | Deposit date: | 2022-07-01 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Phys Chem Chem Phys, 25, 2023
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8AA6
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![BU of 8aa6 by Molmil](/molmil-images/mine/8aa6) | CAII in complex with meta-carboran-propylsulfonamid | Descriptor: | Carbonic anhydrase 2, ZINC ION, meta-carboran-propylsulfonamid | Authors: | Brynda, J, Rezacova, P, Kugler, M. | Deposit date: | 2022-06-30 | Release date: | 2023-05-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | B-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Phys Chem Chem Phys, 25, 2023
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6KM3
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![BU of 6km3 by Molmil](/molmil-images/mine/6km3) | Human Carbonic Anhydrase II native 00 atm CO2 | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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6KM0
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![BU of 6km0 by Molmil](/molmil-images/mine/6km0) | Human Carbonic Anhydrase II V143I variant 07 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2019-07-30 | Release date: | 2020-08-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
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6IC2
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![BU of 6ic2 by Molmil](/molmil-images/mine/6ic2) | Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII | Descriptor: | Carbonic anhydrase 2, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ZINC ION | Authors: | Angeli, A, Ferraroni, M, Supuran, C.T, Carta, F. | Deposit date: | 2018-12-01 | Release date: | 2019-05-15 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII. Chem.Commun.(Camb.), 55, 2019
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6IM0
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![BU of 6im0 by Molmil](/molmil-images/mine/6im0) | Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | Descriptor: | BICARBONATE ION, CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), ... | Authors: | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | Deposit date: | 2018-10-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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6IM1
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![BU of 6im1 by Molmil](/molmil-images/mine/6im1) | Crystal structure of a highly thermostable carbonic anhydrase from Persephonella marina EX-H1 | Descriptor: | CALCIUM ION, Carbonic anhydrase (Carbonate dehydratase), TETRAETHYLENE GLYCOL, ... | Authors: | Jin, M.S, Kim, S, Sung, J, Yeon, J, Choi, S.H. | Deposit date: | 2018-10-21 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of a Highly Thermostable alpha-Carbonic Anhydrase from Persephonella marina EX-H1. Mol.Cells, 42, 2019
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