6B4D
 
 | | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | | Descriptor: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Lomelino, C.L, Mahon, B.P, McKenna, R. | | Deposit date: | 2017-09-26 | | Release date: | 2018-02-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.196 Å) | | Cite: | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
ACS Med Chem Lett, 8, 2017
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5SZ2
 | | Carbonic anhydrase II in complex with 4-(3-formylphenyl)-benzenesulfonamide | | Descriptor: | 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ7
 | | Carbonic anhydrase IX-mimic in complex with 4-(3-quinolinyl)-benzenesulfonamide | | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.776 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ4
 | | Carbonic anhydrase IX-mimic in complex with 4-(phenyl)-benzenesulfonamide | | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ0
 | | Carbonic anhydrase II in complex with 4-(phenyl)-benzenesulfonamide | | Descriptor: | 4-(phenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ5
 | | Carbonic anhydrase IX-mimic in complex with 4-(2-methylphenyl)-benzenesulfonamide | | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.274 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ1
 | | Carbonic anhydrase II in complex with 4-(2-methylphenyl)-benzenesulfonamide | | Descriptor: | 4-(2-methylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ6
 | | Carbonic anhydrase IX-mimic in complex with 4-(3-formylphenyl)-benzenesulfonamide | | Descriptor: | 4-(3-formylphenyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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5SZ3
 | | Carbonic anhydrase II in complex with 4-(3-quinolinyl)-benzenesulfonamide | | Descriptor: | 4-(3-quinolinyl)-benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Bhatt, A, Mahon, B.P, Cornelio, B, McKenna, R. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.689 Å) | | Cite: | Structure-Activity Relationships of Benzenesulfonamide-Based Inhibitors towards Carbonic Anhydrase Isoform Specificity.
Chembiochem, 18, 2017
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6UGN
 | | Human Carbonic Anhydrase 2 complexed with SB4-205 | | Descriptor: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Supuran, C.T, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.406 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6UGO
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-205 | | Descriptor: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ... | | Authors: | Murray, A.B, McKenna, R, Lomelino, C.L. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.457 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6UGP
 | | Human Carbonic Anhydrase 2 complexed with SB4-206 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... | | Authors: | Murray, A.B, Lomelino, C.L, McKenna, R. | | Deposit date: | 2019-09-26 | | Release date: | 2019-12-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.306 Å) | | Cite: | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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6PDV
 | | Cu-Carbonic Anhydrase II, A Nitrite Reductase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COPPER (II) ION, Carbonic anhydrase 2, ... | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2019-06-19 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
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6UX1
 | | Carbonic Anhydrase II Complexed with Salicylic Acid | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Andring, J.T, Combs, J.E, McKenna, R. | | Deposit date: | 2019-11-06 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Aspirin: A Suicide Inhibitor of Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6PEA
 | | High Resolution Apo Carbonic Anhydrase II | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2 | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2019-06-20 | | Release date: | 2020-03-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure and mechanism of copper-carbonic anhydrase II: a nitrite reductase.
Iucrj, 7, 2020
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6VB4
 | | HLA-B*15:02 complexed with a synthetic peptide | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | | Authors: | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.334 Å) | | Cite: | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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6VB1
 | | HLA-B*15:02 complexed with a synthetic peptide | | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | Deposit date: | 2019-12-18 | | Release date: | 2020-11-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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6OUB
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6OUE
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6OTI
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6OTM
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6OTP
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6OUI
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6OUM
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6WQ7
 | | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
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