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5JJ8
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BU of 5jj8 by Molmil
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
4RXY
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BU of 4rxy by Molmil
Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa
Descriptor: Carbonic anhydrase, GLYCEROL, ZINC ION
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-12-12
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa.
Bioorg.Med.Chem., 23, 2015
4YWP
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BU of 4ywp by Molmil
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
4ZAO
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BU of 4zao by Molmil
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
4XZ5
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BU of 4xz5 by Molmil
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
4ZX0
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BU of 4zx0 by Molmil
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
5BQ1
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BU of 5bq1 by Molmil
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
4M2U
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BU of 4m2u by Molmil
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
4M2V
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BU of 4m2v by Molmil
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
4M2R
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BU of 4m2r by Molmil
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
4M2W
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BU of 4m2w by Molmil
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
4RUZ
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BU of 4ruz by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-ethoxybenzenesulfonamide
Descriptor: 4-ethoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUY
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BU of 4ruy by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-propoxybenzenesulfonamide
Descriptor: 4-propoxybenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
4RUX
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BU of 4rux by Molmil
Crystal structure of human Carbonic Anhydrase II in complex with 4-(allyloxy)benzenesulfonamide
Descriptor: 4-(allyloxy)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects.
Bioorg.Med.Chem., 23, 2015
6BJ5
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BU of 6bj5 by Molmil
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
4RFD
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BU of 4rfd by Molmil
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
4RFC
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BU of 4rfc by Molmil
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
4QEF
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BU of 4qef by Molmil
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
4ZWI
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BU of 4zwi by Molmil
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
4ZWZ
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BU of 4zwz by Molmil
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
4ZWY
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BU of 4zwy by Molmil
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
4ZX1
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BU of 4zx1 by Molmil
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
4ZWX
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BU of 4zwx by Molmil
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
4E5Q
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BU of 4e5q by Molmil
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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