6LV7
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![BU of 6lv7 by Molmil](/molmil-images/mine/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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6LV4
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![BU of 6lv4 by Molmil](/molmil-images/mine/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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6LUU
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![BU of 6luu by Molmil](/molmil-images/mine/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
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![BU of 6luz by Molmil](/molmil-images/mine/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
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![BU of 6lv6 by Molmil](/molmil-images/mine/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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6I0L
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![BU of 6i0l by Molmil](/molmil-images/mine/6i0l) | Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor | Descriptor: | 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea, ACETATE ION, Carbonic anhydrase 1, ... | Authors: | Ferraroni, M, Supuran, C.T, Bozdag, M, Chiapponi, D. | Deposit date: | 2018-10-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Carbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells. Eur.J.Med.Chem., 182, 2019
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6I0W
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![BU of 6i0w by Molmil](/molmil-images/mine/6i0w) | Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide | Descriptor: | 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-10-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 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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6HX5
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![BU of 6hx5 by Molmil](/molmil-images/mine/6hx5) | |
6LUV
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![BU of 6luv by Molmil](/molmil-images/mine/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
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![BU of 6lv8 by Molmil](/molmil-images/mine/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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6GXB
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![BU of 6gxb by Molmil](/molmil-images/mine/6gxb) | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS13 | Descriptor: | Carbonic anhydrase 2, ZINC ION, ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide | Authors: | Brynda, J, Rezacova, P, Pospisilova, K. | Deposit date: | 2018-06-27 | Release date: | 2019-05-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms Acs Omega, 4, 2019
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6LUY
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![BU of 6luy by Molmil](/molmil-images/mine/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
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![BU of 6lv5 by Molmil](/molmil-images/mine/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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6GOT
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![BU of 6got by Molmil](/molmil-images/mine/6got) | Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(phenethylthio)benzenesulfonamide | Descriptor: | 4-(2-phenylethylsulfanyl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Supuran, C.T, Angeli, A. | Deposit date: | 2018-06-04 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Synthesis of different thio-scaffolds bearing sulfonamide with subnanomolar carbonic anhydrase II and IX inhibitory properties and X-ray investigations for their inhibitory mechanism. Bioorg. Chem., 81, 2018
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6GXE
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![BU of 6gxe by Molmil](/molmil-images/mine/6gxe) | Carbonic Anhydrase CAIX mimic in complex with inhibitor JS14 | Descriptor: | 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Brynda, J, Rezacova, P, Pospisilova, K. | Deposit date: | 2018-06-27 | Release date: | 2019-05-08 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Inhibitor-Polymer Conjugates as a Versatile Tool for Detection and Visualization of Cancer-Associated Carbonic Anhydrase Isoforms Acs Omega, 2019
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6H2Z
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![BU of 6h2z by Molmil](/molmil-images/mine/6h2z) | The crystal structure of human carbonic anhydrase II in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 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 (1.94 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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6H33
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![BU of 6h33 by Molmil](/molmil-images/mine/6h33) | The crystal structure of human carbonic anhydrase II 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 2, GLYCEROL, ... | 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 (1.58 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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6LV9
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![BU of 6lv9 by Molmil](/molmil-images/mine/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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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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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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6NLV
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![BU of 6nlv by Molmil](/molmil-images/mine/6nlv) | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | Descriptor: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Singh, S, McKenna, R. | Deposit date: | 2019-01-09 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.794 Å) | Cite: | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
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6NM0
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![BU of 6nm0 by Molmil](/molmil-images/mine/6nm0) | Selective inhibition of carbonic anhydrase IX activity, using compound SLC-149, displays limited anticancer effects in breast cancer cell lines | Descriptor: | 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Singh, S, McKenna, R. | Deposit date: | 2019-01-10 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Inhibition of Carbonic Anhydrase Using SLC-149: Support for a Noncatalytic Function of CAIX in Breast Cancer. J.Med.Chem., 64, 2021
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4M2W
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![BU of 4m2w by Molmil](/molmil-images/mine/4m2w) | Genetically engineered Carbonic Anhydrase IX in complex with Dorzolamide | Descriptor: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, McKenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.658 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4MLT
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![BU of 4mlt by Molmil](/molmil-images/mine/4mlt) | |
5JES
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![BU of 5jes by Molmil](/molmil-images/mine/5jes) | Human carbonic anhydrase II (V121T) complexed with benzo[d]thiazole-2-sulfonamide | Descriptor: | 1,3-benzothiazole-2-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Fox, J.M, Kang, K, Sastry, M, Sherman, W, Sankaran, B, Zwart, P.H, Whitesides, G.M. | Deposit date: | 2016-04-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.205 Å) | Cite: | Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase. Angew. Chem. Int. Ed. Engl., 56, 2017
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