4YWP
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![BU of 4ywp by Molmil](/molmil-images/mine/4ywp) | Sucrose Binding Site in genetically engineered Carbonic anhydrase IX | Descriptor: | Carbonic anhydrase 2, ZINC ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | Authors: | Pinard, M.A, Aggarwal, M. | Deposit date: | 2015-03-20 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX. Acta Crystallogr F Struct Biol Commun, 71, 2015
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4ZAO
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![BU of 4zao by Molmil](/molmil-images/mine/4zao) | Genetically engineered Carbonic anhydrase IX | Descriptor: | Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.A, Aggarwal, M. | Deposit date: | 2015-04-13 | Release date: | 2015-10-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A sucrose-binding site provides a lead towards an isoform-specific inhibitor of the cancer-associated enzyme carbonic anhydrase IX. Acta Crystallogr F Struct Biol Commun, 71, 2015
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5JJ8
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![BU of 5jj8 by Molmil](/molmil-images/mine/5jj8) | Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form | Descriptor: | Carbonic anhydrase, ZINC ION | Authors: | Pinard, M.A, Kurian, J.J, Aggarwal, M, Agbandje-McKenna, M, McKenna, R. | Deposit date: | 2016-04-22 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Cryoannealing-induced space-group transition of crystals of the carbonic anhydrase psCA3. Acta Crystallogr.,Sect.F, 72, 2016
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4RXY
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![BU of 4rxy by Molmil](/molmil-images/mine/4rxy) | |
4XZ5
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![BU of 4xz5 by Molmil](/molmil-images/mine/4xz5) | Structure of the thermostable alpha-Carbonic Anydrase from Thiomicrospira crunogena XCL-2 gammaproteobacterium | Descriptor: | BICARBONATE ION, Carbonic anhydrase, alpha family, ... | Authors: | Mahon, B.P, Diaz-Torres, N.A, Pinard, M.A, McKenna, R. | Deposit date: | 2015-02-03 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Structural and biophysical characterization of the alpha-carbonic anhydrase from the gammaproteobacterium Thiomicrospira crunogena XCL-2: insights into engineering thermostable enzymes for CO2 sequestration. Acta Crystallogr.,Sect.D, 71, 2015
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4ZX0
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![BU of 4zx0 by Molmil](/molmil-images/mine/4zx0) | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | Mahon, B.P, Lomelino, C.L, Pinard, M.A, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates J. Med. Chem., 58, 2015
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5BQ1
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![BU of 5bq1 by Molmil](/molmil-images/mine/5bq1) | Capturing Carbon Dioxide in beta Carbonic Anhydrase | Descriptor: | CARBON DIOXIDE, Carbonic anhydrase, ZINC ION | Authors: | Aggarwal, M, Chua, T.K, Pinard, M.A, Szebenyi, D.M, McKenna, R. | Deposit date: | 2015-05-28 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Carbon Dioxide "Trapped" in a beta-Carbonic Anhydrase. Biochemistry, 54, 2015
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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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4M2U
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![BU of 4m2u by Molmil](/molmil-images/mine/4m2u) | Carbonic Anhydrase II 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 (1.999 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2R
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![BU of 4m2r by Molmil](/molmil-images/mine/4m2r) | Human Carbonic Anhydrase II in complex with Brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-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 (1.993 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4M2V
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![BU of 4m2v by Molmil](/molmil-images/mine/4m2v) | Genetically engineered Carbonic Anhydrase IX in complex with Brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-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 (1.718 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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4RUZ
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![BU of 4ruz by Molmil](/molmil-images/mine/4ruz) | |
4RUY
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![BU of 4ruy by Molmil](/molmil-images/mine/4ruy) | |
4RUX
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![BU of 4rux by Molmil](/molmil-images/mine/4rux) | |
4RFD
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![BU of 4rfd by Molmil](/molmil-images/mine/4rfd) | Human carbonic anhydrase II in complex with 4-(4-sulfamoyl-phenoxy)-butylammonium | Descriptor: | 4-(4-sulfamoyl-phenoxy)-butylammonium, BICARBONATE ION, Carbonic anhydrase 2, ... | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | Deposit date: | 2014-09-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.631 Å) | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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4RFC
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![BU of 4rfc by Molmil](/molmil-images/mine/4rfc) | Human carbonic anhydrase II in complex with tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | Descriptor: | Carbonic anhydrase 2, ZINC ION, tert-butyl 4-(4-sulfamoylphenoxy)butylcarbamate | Authors: | Bozdag, M, Pinard, M.A, Carta, F, Masini, E, Scozzafava, A, Mckenna, R, Supuran, C.T. | Deposit date: | 2014-09-25 | Release date: | 2015-04-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | A class of 4-sulfamoylphenyl-omega-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. J.Med.Chem., 57, 2014
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6BJ5
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![BU of 6bj5 by Molmil](/molmil-images/mine/6bj5) | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mahon, B.P, Lomelino, C.L, McKenna, R. | Deposit date: | 2017-11-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1) To Be Published
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4E5Q
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![BU of 4e5q by Molmil](/molmil-images/mine/4e5q) | Human Carbonic Anhydrase II in complex with cyanate | Descriptor: | Carbonic anhydrase 2, ZINC ION, cyanic acid | Authors: | West, D, McKenna, R. | Deposit date: | 2012-03-14 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7024 Å) | Cite: | Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4QEF
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![BU of 4qef by Molmil](/molmil-images/mine/4qef) | Human Carbonic Anhydrase II V207I - cyanate inhibitor complex | Descriptor: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | Authors: | West, D.M. | Deposit date: | 2014-05-15 | Release date: | 2014-10-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.469 Å) | Cite: | Human carbonic anhydrase II-cyanate inhibitor complex: putting the debate to rest. Acta Crystallogr F Struct Biol Commun, 70, 2014
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4ZWI
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![BU of 4zwi by Molmil](/molmil-images/mine/4zwi) | Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor | Descriptor: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, M. | Deposit date: | 2015-05-19 | Release date: | 2015-08-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli. Protein Sci., 24, 2015
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4ZWZ
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![BU of 4zwz by Molmil](/molmil-images/mine/4zwz) | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | Descriptor: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | Authors: | Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
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4ZWY
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![BU of 4zwy by Molmil](/molmil-images/mine/4zwy) | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | Descriptor: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
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4ZX1
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![BU of 4zx1 by Molmil](/molmil-images/mine/4zx1) | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | Descriptor: | (6R)-5-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. | Deposit date: | 2015-05-20 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX using Structure-Activity Relationships of Glucosyl-Based Sulfamates J. Med. Chem., 58, 2015
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4ZWX
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![BU of 4zwx by Molmil](/molmil-images/mine/4zwx) | Engineered Carbonic Anhydrase IX mimic in complex with glucosyl sulfamate inhibitor | Descriptor: | (1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Mahon, B.P, Lomelino, C.L, Salguero, A.L, McKenna, R. | Deposit date: | 2015-05-19 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.696 Å) | Cite: | Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58, 2015
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