6MBY
 
 | | Carbonic Anhydrase II in complex with Ferulic Acid | | 分子名称: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, McKenna, R. | | 登録日 | 2018-08-30 | | 公開日 | 2019-03-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.496 Å) | | 主引用文献 | Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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6MBV
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5WLV
 | | Carbonic Anhydrase II in complex with aryloxy-2-hydroxypropylammine sulfonamide | | 分子名称: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, Andring, J.T, McKenna, R. | | 登録日 | 2017-07-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
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5WLR
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5WLT
 | | Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | | 分子名称: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Lomelino, C.L, Andring, J.T, McKenna, R. | | 登録日 | 2017-07-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy.
J. Med. Chem., 61, 2018
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5WLU
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6VJ3
 | | Carbonic Anhydrase II in complex with pyrimidine-based inhibitor | | 分子名称: | 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Lomelino, C.L, McKenna, R. | | 登録日 | 2020-01-14 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Inclusion of a 5-fluorouracil moiety in nitrogenous bases derivatives as human carbonic anhydrase IX and XII inhibitors produced a targeted action against MDA-MB-231 and T47D breast cancer cells.
Eur.J.Med.Chem., 190, 2020
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4ZWI
 | | Surface Lysine Acetylated Human Carbonic Anhydrase II in Complex with a Sulfamate-Based Inhibitor | | 分子名称: | (6R)-1-O-acetyl-2,6-anhydro-6-{[4-(sulfamoyloxy)piperidin-1-yl]sulfonyl}-L-glucitol, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, M. | | 登録日 | 2015-05-19 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Observed surface lysine acetylation of human carbonic anhydrase II expressed in Escherichia coli.
Protein Sci., 24, 2015
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5EIJ
 | | Carbonic Anhydrase II in complex with Sulfonamide Inhibitor | | 分子名称: | 1-(3-iodanylphenyl)-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, R. | | 登録日 | 2015-10-29 | | 公開日 | 2016-11-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Kinetic and X-ray crystallographic investigations on carbonic anhydrase isoforms I, II, IX and XII of a thioureido analog of SLC-0111.
Bioorg. Med. Chem., 24, 2016
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6B5A
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6B59
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6CJV
 | | Carbonic anhydrase IX-mimic in complex with sucralose | | 分子名称: | 4-chloro-4-deoxy-alpha-D-galactopyranose-(1-2)-1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose, Carbonic anhydrase 2, ZINC ION | | 著者 | Lomelino, C.L, Murray, A.B, McKenna, R. | | 登録日 | 2018-02-26 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.547 Å) | | 主引用文献 | Sweet Binders: Carbonic Anhydrase IX in Complex with Sucralose.
ACS Med Chem Lett, 9, 2018
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6B4D
 | | Crystal structure of human carbonic anhydrase II in complex with a heteroaryl-pyrazole carboxylic acid derivative. | | 分子名称: | 3-(1-ethyl-1H-indol-3-yl)-1-methyl-1H-pyrazole-5-carboxylic acid, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Lomelino, C.L, Mahon, B.P, McKenna, R. | | 登録日 | 2017-09-26 | | 公開日 | 2018-02-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.196 Å) | | 主引用文献 | Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.
ACS Med Chem Lett, 8, 2017
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5WGP
 | | Human Carbonic Anhydrase IX-mimic complexed with AceK | | 分子名称: | Acesulfame, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | | 登録日 | 2017-07-14 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
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6U4T
 | | Carbonic anhydrase 9 in complex with SB4197 | | 分子名称: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-08-26 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.356 Å) | | 主引用文献 | "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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6UGQ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-206 | | 分子名称: | 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.305 Å) | | 主引用文献 | "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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6UH0
 | | Human Carbonic Anhydrase 2 in complex with SB4-202 | | 分子名称: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | | 主引用文献 | "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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6UGR
 | | Human Carbonic Anhydrase 2 complexed with SB4-208 | | 分子名称: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.307 Å) | | 主引用文献 | "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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6UGZ
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-208 | | 分子名称: | 7-fluoro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | | 主引用文献 | "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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6U4Q
 | | Carbonic anhydrase 2 in complex with SB4197 | | 分子名称: | 4-methyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-08-26 | | 公開日 | 2020-01-22 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | | 主引用文献 | "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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5WG7
 | | Human Carbonic Anhydrase II complexed with AceK | | 分子名称: | Acesulfame, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | | 登録日 | 2017-07-13 | | 公開日 | 2018-02-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
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6UGO
 | | Human Carbonic Anhydrase IX-mimic complexed with SB4-205 | | 分子名称: | 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, CITRIC ACID, Carbonic anhydrase IX-mimic, ... | | 著者 | Murray, A.B, McKenna, R, Lomelino, C.L. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.457 Å) | | 主引用文献 | "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 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | | 主引用文献 | "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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4ZWZ
 | | Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor | | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | | 著者 | Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. | | 登録日 | 2015-05-19 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | 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
 | | Human Carbonic Anhydrase II in complex with a glucosyl sulfamate inhibitor | | 分子名称: | (6S)-1,3,4,5-tetra-O-acetyl-2,6-anhydro-6-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-L-altritol, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Mahon, B.P, Lomelino, C.L, Driscoll, J.M, McKenna, R. | | 登録日 | 2015-05-19 | | 公開日 | 2015-08-05 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 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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