6T7U
| Carborane inhibitor of Carbonic Anhydrase IX | Descriptor: | Carbonic anhydrase 2, Carborane inhibitor, ZINC ION | Authors: | Brynda, J, Rezacova, P, Kugler, M, Gruner, B. | Deposit date: | 2019-10-23 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Sulfonamido carboranes as highly selective inhibitors of cancer-specific carbonic anhydrase IX. Eur.J.Med.Chem., 200, 2020
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5NYA
| Carbonic Anhydrase II Inhibitor RA13 | Descriptor: | Carbonic anhydrase 2, GLUTARIC ACID, ZINC ION, ... | Authors: | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | Deposit date: | 2017-05-11 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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5NXG
| Carbonic Anhydrase II Inhibitor RA1 | Descriptor: | 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide, Carbonic anhydrase 2, ZINC ION | Authors: | Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J. | Deposit date: | 2017-05-10 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes. Chemphyschem, 19, 2018
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6QFW
| Human carbonic anhydrase II with bound IrCp* complex (cofactor 9) to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 4-[3-(8-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8$l^{4}-diaza-9$l^{7}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)propyl]benzenesulfonamide, Carbonic anhydrase 2, IRIDIUM ION, ... | Authors: | Rebelein, J.G. | Deposit date: | 2019-01-10 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Chemical Optimization of Whole-Cell Transfer Hydrogenation Using Carbonic Anhydrase as Host Protein. Acs Catalysis, 9, 2019
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6LV9
| Cu- Carbonic Anhydrase II pH 7.8 0 atm CO2 | Descriptor: | COPPER (II) ION, Carbonic anhydrase 2, GLYCEROL | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LUY
| Zn- Carbonic Anhydrase II pH 11.0 0 atm CO2 | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LV5
| Ni- Carbonic Anhydrase II pH 7.8 0 atm CO2 | Descriptor: | Carbonic anhydrase 2, GLYCEROL, NICKEL (II) ION | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LUU
| apo- Carbonic Anhydrase II pH 7.8 0 atm CO2 | Descriptor: | Carbonic anhydrase 2, GLYCEROL | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LUZ
| Zn- Carbonic Anhydrase II pH 11.0 20 atm CO2 | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LV6
| Ni- Carbonic Anhydrase II pH 7.8 20 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LUV
| apo- Carbonic Anhydrase II pH 7.8 20 atm CO2 | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LV8
| Ni- Carbonic Anhydrase II pH 11.0 20 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6R6F
| Crystal structure of human carbonic anhydrase isozyme II with 4-chloro-2-cyclohexylsulfanyl-N-(2-hydroxyethyl)-5-sulfamoyl-benzamide | Descriptor: | 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2019-03-27 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur.J.Med.Chem., 185, 2020
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6YOI
| Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-04-14 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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6LV4
| Co- Carbonic Anhydrase II pH 11.0 20 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, COBALT (II) ION, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LUW
| Zn- Carbonic Anhydrase II pH 7.8 0 atm CO2 | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LV2
| Co- Carbonic Anhydrase II pH 7.8 20 atm CO2 | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, COBALT (II) ION, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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5T74
| Human carboanhydrase F131C_C206S double mutant in complex with 14 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide, 4-(HYDROXYMERCURY)BENZOIC ACID, ... | 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 (1.2 Å) | Cite: | A Predictive Approach for the Optical Control of Carbonic Anhydrase II Activity. ACS Chem. Biol., 13, 2018
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6LV3
| Co- Carbonic Anhydrase II pH 11.0 0 atm CO2 | Descriptor: | COBALT (II) ION, Carbonic anhydrase 2, GLYCEROL | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LV7
| Ni- Carbonic Anhydrase II pH 11.0 0 atm CO2 | Descriptor: | Carbonic anhydrase 2, GLYCEROL, NICKEL (II) ION | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6YO2
| Meta-Carborane propyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Meta-Carborane propyl-sulfonamide, ZINC ION | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | Deposit date: | 2020-04-14 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme. Chemistry, 26, 2020
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6LUX
| Zn- Carbonic Anhydrase II pH 7.8 20 atm CO2 | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LV1
| Co- Carbonic Anhydrase II pH 7.8 0 atm CO2 | Descriptor: | BICARBONATE ION, COBALT (II) ION, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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6LVA
| Cu- Carbonic Anhydrase II pH 7.8 20 atm CO2 | Descriptor: | CARBON DIOXIDE, COPPER (II) ION, Carbonic anhydrase 2, ... | Authors: | Kim, C.U, Kim, J.K. | Deposit date: | 2020-02-02 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Elucidating the role of metal ions in carbonic anhydrase catalysis. Nat Commun, 11, 2020
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5YUI
| CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Kim, C.U, Park, S.Y, McKenna, R. | Deposit date: | 2017-11-22 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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