6YO2
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![BU of 6yo2 by Molmil](/molmil-images/mine/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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6YO4
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![BU of 6yo4 by Molmil](/molmil-images/mine/6yo4) | Para-Carborane propyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Para-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 (1.7 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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6YOK
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![BU of 6yok by Molmil](/molmil-images/mine/6yok) | Para-Carborane di-propyl-sulfonamide in complex with CA IX mimic | Descriptor: | Carbonic anhydrase 2, Para-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 (1.25 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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6YJ3
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![BU of 6yj3 by Molmil](/molmil-images/mine/6yj3) | Metala-Carborane di-propyl-sulfonamide | Descriptor: | Carbonic anhydrase 2, Metala-Carborane di-propyl-sulfonamide, ZINC ION | Authors: | Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M. | Deposit date: | 2020-04-02 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX. Chempluschem, 86, 2021
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3KWD
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![BU of 3kwd by Molmil](/molmil-images/mine/3kwd) | Inactive truncation of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM, form 1 | Descriptor: | CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ZINC ION | Authors: | Pena, K.L, Kimber, M.S, Castel, S.E. | Deposit date: | 2009-12-01 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM. Proc.Natl.Acad.Sci.USA, 107, 2010
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3KWC
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![BU of 3kwc by Molmil](/molmil-images/mine/3kwc) | Oxidized, active structure of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM | Descriptor: | CHLORIDE ION, Carbon dioxide concentrating mechanism protein, ISOPROPYL ALCOHOL, ... | Authors: | Kimber, M.S, Castel, S.E, Pena, K.L. | Deposit date: | 2009-12-01 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM. Proc.Natl.Acad.Sci.USA, 107, 2010
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3KWE
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![BU of 3kwe by Molmil](/molmil-images/mine/3kwe) | Inactive truncation of the beta-carboxysomal gamma-Carbonic Anhydrase, CcmM, form 2 | Descriptor: | CHLORIDE ION, Carbon dioxide concentrating mechanism protein, HEXANE-1,6-DIOL, ... | Authors: | Kimber, M.S, Castel, S.E, Pena, K.L. | Deposit date: | 2009-12-01 | Release date: | 2010-02-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Structural basis of the oxidative activation of the carboxysomal {gamma}-carbonic anhydrase, CcmM. Proc.Natl.Acad.Sci.USA, 107, 2010
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3M1Q
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3MZC
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![BU of 3mzc by Molmil](/molmil-images/mine/3mzc) | Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor | Descriptor: | 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-05-12 | Release date: | 2011-03-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3ML2
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![BU of 3ml2 by Molmil](/molmil-images/mine/3ml2) | Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor | Descriptor: | 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | Deposit date: | 2010-04-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations. Bioorg.Med.Chem., 18, 2010
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1DMX
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1DMY
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![BU of 1dmy by Molmil](/molmil-images/mine/1dmy) | |
3V3J
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![BU of 3v3j by Molmil](/molmil-images/mine/3v3j) | |
3U7C
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![BU of 3u7c by Molmil](/molmil-images/mine/3u7c) | crystal structure of the V143I mutant of human carbonic anhydrase II | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | West, D.M, Kim, C.U, Robbins, A.H, Mckenna, R. | Deposit date: | 2011-10-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | crystal structure of the V143I mutant of human carbonic anhydrase II To be Published
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1MUA
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![BU of 1mua by Molmil](/molmil-images/mine/1mua) | |
4GL1
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![BU of 4gl1 by Molmil](/molmil-images/mine/4gl1) | |
2WEJ
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![BU of 2wej by Molmil](/molmil-images/mine/2wej) | Thermodynamic Optimisation of Carbonic Anhydrase Fragment Inhibitors | Descriptor: | CARBONIC ANHYDRASE 2, GLYCEROL, ZINC ION, ... | Authors: | Scott, A.D, Phillips, C, Alex, A, Bent, A, O'Brien, R, Damian, L, Jones, L.H. | Deposit date: | 2009-03-31 | Release date: | 2009-11-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thermodynamic Optimisation in Drug Discovery: A Case Study Using Carbonic Anhydrase Inhibitors. Chemmedchem, 4, 2009
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7U5W
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![BU of 7u5w by Molmil](/molmil-images/mine/7u5w) | |
7U5X
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6LAC
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![BU of 6lac by Molmil](/molmil-images/mine/6lac) | The structural basis of the beta-carbonic anhydrase CafD (C39A mutant) of the filamentous fungus Aspergillus fumigatus | Descriptor: | Carbonic anhydrase, ZINC ION | Authors: | Jiin, M.S, Kim, S, Kim, N.J, Hong, S, Kim, S, Sung, J. | Deposit date: | 2019-11-12 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The structural analysis of non-catalytic zinc binding site in the minor beta-carbonic anhydrase CafD To be published
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3ZP9
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6UZU
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![BU of 6uzu by Molmil](/molmil-images/mine/6uzu) | Carbonic Anhydrase IX-mimic In Complex WITH U-CH3 | Descriptor: | 4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | McKenna, R, Mboge, M.Y, Mahon, B.P. | Deposit date: | 2019-11-15 | Release date: | 2020-10-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure activity study of carbonic anhydrase IX: Selective inhibition with ureido-substituted benzenesulfonamides. Eur J Med Chem, 132, 2017
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3M1J
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3M14
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![BU of 3m14 by Molmil](/molmil-images/mine/3m14) | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide, ... | Authors: | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | Deposit date: | 2010-03-04 | Release date: | 2011-05-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural investigation and inhibitor studies on Carbonic Anhydrase II To be Published
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3M04
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![BU of 3m04 by Molmil](/molmil-images/mine/3m04) | Carbonic Anhydrase II in complex with novel sulfonamide inhibitor | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, ZINC ION, ... | Authors: | Schulze Wischeler, J, Heine, A, Klebe, G, Sandner, N.U. | Deposit date: | 2010-03-02 | Release date: | 2011-05-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural investigation and inhibitor studies on Carbonic Anhydrase II To be Published
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