Author results

4RXY
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CRYSTAL STRUCTURE OF THE BETA CARBONIC ANHYDRASE PSCA3 ISOLATED FROM PSEUDOMONAS AERUGINOSA
Descriptor:Carbonic anhydrase, ZINC ION, GLYCEROL
Authors:Pinard, M.A., Mckenna, R.
Deposit date:2014-12-12
Release date:2015-06-24
Last modified:2017-11-22
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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SUCROSE BINDING SITE IN GENETICALLY ENGINEERED CARBONIC ANHYDRASE IX
Descriptor:Carbonic anhydrase 2, ZINC ION, SUCROSE
Authors:Pinard, M.A., Aggarwal, M.
Deposit date:2015-03-20
Release date:2015-10-14
Last modified:2018-04-18
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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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:2018-04-18
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
5JJ8
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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:2017-09-27
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
4XZ5
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STRUCTURE OF THE THERMOSTABLE ALPHA-CARBONIC ANYDRASE FROM THIOMICROSPIRA CRUNOGENA XCL-2 GAMMAPROTEOBACTERIUM
Descriptor:Carbonic anhydrase, alpha family, ZINC ION, ...
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:2017-09-27
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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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
Descriptor:Carbonic anhydrase 2, ZINC ION, methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(acetyloxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carboxylate, ...
Authors:Mahon, B.P., Lomelino, C.L., Pinard, M.A., McKenna, R.
Deposit date:2015-05-19
Release date:2015-10-28
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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CAPTURING CARBON DIOXIDE IN BETA CARBONIC ANHYDRASE
Descriptor:Carbonic anhydrase, ZINC ION, CARBON DIOXIDE
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:2017-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Carbon Dioxide "Trapped" in a beta-Carbonic Anhydrase.
Biochemistry, 54, 2015
4M2R
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BRINZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
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:2017-11-15
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
4M2U
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CARBONIC ANHYDRASE II IN COMPLEX WITH DORZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
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:2017-11-15
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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GENETICALLY ENGINEERED CARBONIC ANHYDRASE IX IN COMPLEX WITH BRINZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE
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:2017-11-15
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
4M2W
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GENETICALLY ENGINEERED CARBONIC ANHYDRASE IX IN COMPLEX WITH DORZOLAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
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:2017-11-15
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
4RUX
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-(ALLYLOXY)BENZENESULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-(allyloxy)benzenesulfonamide, ...
Authors:Pinard, M.A., Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2017-11-22
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
4RUY
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-PROPOXYBENZENESULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-propoxybenzenesulfonamide, ...
Authors:Pinard, M.A., Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2017-11-22
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
4RUZ
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CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-ETHOXYBENZENESULFONAMIDE
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-ethoxybenzenesulfonamide, ...
Authors:Pinard, M.A., Mckenna, R.
Deposit date:2014-11-23
Release date:2015-04-22
Last modified:2017-11-22
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
4RFC
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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:2017-11-22
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
4RFD
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 4-(4-SULFAMOYL-PHENOXY)-BUTYLAMMONIUM
Descriptor:Carbonic anhydrase 2, ZINC ION, 4-(4-sulfamoyl-phenoxy)-butylammonium, ...
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:2017-11-22
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
4E5Q
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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:2017-11-15
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
4QEF
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HUMAN CARBONIC ANHYDRASE II V207I - CYANATE INHIBITOR COMPLEX
Descriptor:Carbonic anhydrase 2, ZINC ION, cyanic acid, ...
Authors:West, D.M.
Deposit date:2014-05-15
Release date:2014-10-08
Last modified:2017-11-22
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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SURFACE LYSINE ACETYLATED HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFAMATE-BASED INHIBITOR
Descriptor:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Lomelino, C.L., Mahon, B.P., McKenna, M.
Deposit date:2015-05-19
Release date:2015-08-26
Last modified:2017-09-20
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
4ZWX
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ENGINEERED CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH GLUCOSYL SULFAMATE INHIBITOR
Descriptor:Carbonic anhydrase 2, ZINC ION, 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:2017-09-13
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
4ZWY
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HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
Descriptor:Carbonic anhydrase 2, ZINC ION, (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, ...
Authors:Mahon, B.P., Lomelino, C.L., Driscoll, J.M., McKenna, R.
Deposit date:2015-05-19
Release date:2015-08-05
Last modified:2017-09-13
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
4ZWZ
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ENGINEERED CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
Descriptor:Carbonic anhydrase 2, ZINC ION, methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carboxylate, ...
Authors:Mahon, B.P., Lomelino, C.L., Driscoll, J.M., McKenna, R.
Deposit date:2015-05-19
Release date:2015-08-05
Last modified:2015-09-09
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
4ZX1
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ENGINEERED CARBONIC ANHYDRASE IX MIMIC IN COMPLEX WITH A GLUCOSYL SULFAMATE INHIBITOR
Descriptor:Carbonic anhydrase 2, ZINC ION, DIMETHYL SULFOXIDE, ...
Authors:Mahon, B.P., Lomelino, C.L., Salguero, A.L., McKenna, R.
Deposit date:2015-05-20
Release date:2015-10-28
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
6BJ5
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STRUCTURE OF THE CLINICALLY USED MYXOMAVIRAL SERINE PROTEASE INHIBITOR 1 (SERP-1)
Descriptor:Serine proteinase inhibitor 1, N-ACETYL-D-GLUCOSAMINE, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL
Authors:Mahon, B.P., Lomelino, C.L., McKenna, R.
Deposit date:2017-11-05
Release date:2018-11-07
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the Clinically used Myxomaviral Serine Protease Inhibitor 1 (SERP-1)
To Be Published