5WLT
| Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | Descriptor: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Lomelino, C.L, Andring, J.T, McKenna, R. | Deposit date: | 2017-07-27 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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3U3A
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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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3UYN
| HCA 3 | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Fisher, Z, McKenna, R. | Deposit date: | 2011-12-06 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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3UYQ
| HCA 3 | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Fisher, Z, McKenna, R. | Deposit date: | 2011-12-06 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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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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7RRF
| Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C | Descriptor: | 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside, Carbonic anhydrase 2, ZINC ION | Authors: | Combs, J.E, McKenna, R. | Deposit date: | 2021-08-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Inhibition of Carbonic Anhydrase IX and Monocarboxylate Transporters 1 and 4 in breast cancer via novel inhibition with Beta-Galactose 2C To Be Published
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7RNZ
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7RNY
| Carbonic Anhydrase II in complex with 3-ureido benzenesulfonamide derivative | Descriptor: | 3-{[benzyl(methyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Combs, J, McKenna, R. | Deposit date: | 2021-07-30 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | One-Pot Procedure for the Synthesis of Asymmetric Substituted Ureido Benzene Sulfonamides as Effective Inhibitors of Carbonic Anhydrase Enzymes. J.Med.Chem., 65, 2022
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8EM3
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8ERK
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8ER8
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7SUY
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7SV1
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7SV8
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7SX5
| Crystal structure of ligase I with nick duplexes containing mismatch A:C | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ... | Authors: | Tang, Q, Gulkis, M, McKenna, R, Caglayan, M. | Deposit date: | 2021-11-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair. Nat Commun, 13, 2022
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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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7SUM
| Crystal structure of human ligase I with nick duplexes containing cognate A:T | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, DNA(5'-*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*A-3'), ... | Authors: | Tang, Q, Gulkis, M, McKenna, R, Caglayan, M. | Deposit date: | 2021-11-17 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair. Nat Commun, 13, 2022
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7SXE
| Crystal structure of ligase I with nick duplexes containing cognate G:T | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ... | Authors: | Tang, Q, Gulkis, M, McKenna, R, Caglayan, M. | Deposit date: | 2021-11-22 | Release date: | 2022-07-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair. Nat Commun, 13, 2022
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8FR2
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8FQY
| Carbonic Anhydrase II in complex with the alkyl urea 3h | Descriptor: | 4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Combs, J.C, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FR1
| Carbonic Anhydrase IX in complex with the alkyl urea compound 3g | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ... | Authors: | Combs, J.C, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FQZ
| Carbonic Anhydrase II in complex with the alkyl urea 3j | Descriptor: | 4-hydroxy-3-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Combs, J.C, McKenna, R. | Deposit date: | 2023-01-06 | Release date: | 2023-02-01 | Method: | X-RAY DIFFRACTION (1.467 Å) | Cite: | New Insights into Conformationally Restricted Carbonic Anhydrase Inhibitors. Molecules, 28, 2023
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8FR4
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3RAA
| Structural studies of AAV8 capsid transitions associated with endosomal trafficking | Descriptor: | ADENOSINE-5'-MONOPHOSPHATE, Capsid protein | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | Deposit date: | 2011-03-27 | Release date: | 2011-09-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking. J.Virol., 85, 2011
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