7JNZ
 
 | | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Andring, J.T, McKenna, R. | | 登録日 | 2020-08-05 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.289 Å) | | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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7JNX
 | | Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | | 分子名称: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Andring, J.T, McKenna, R. | | 登録日 | 2020-08-05 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.286 Å) | | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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7JO0
 | | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide | | 分子名称: | Carbonic anhydrase 2, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, ZINC ION | | 著者 | Andring, J.T, McKenna, R. | | 登録日 | 2020-08-05 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.607 Å) | | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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7JO1
 | | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide | | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide, ... | | 著者 | Andring, J.T, McKenna, R. | | 登録日 | 2020-08-05 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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7JOB
 | | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide | | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide, ... | | 著者 | Andring, J.T, McKenna, R. | | 登録日 | 2020-08-06 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.381 Å) | | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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7JOC
 | | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide | | 分子名称: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | | 著者 | Andring, J.T, McKenna, R. | | 登録日 | 2020-08-06 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.385 Å) | | 主引用文献 | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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8DJ9
 | | Carbonic Anhydrase II in complex with Ibuprofen | | 分子名称: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, ... | | 著者 | Combs, J.C, McKenna, R, Andring, J.T. | | 登録日 | 2022-06-30 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Ibuprofen: a weak inhibitor of carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 78, 2022
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6VB1
 | | HLA-B*15:02 complexed with a synthetic peptide | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | 登録日 | 2019-12-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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6VB4
 | | HLA-B*15:02 complexed with a synthetic peptide | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Beta-2-microglobulin, ... | | 著者 | Schutte, R.J, Li, D, Andring, J, McKenna, R, Ostrov, D.A. | | 登録日 | 2019-12-18 | | 公開日 | 2020-11-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.334 Å) | | 主引用文献 | HLA-B*15:02 complexed with a synthetic peptide
To Be Published
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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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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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5WLU
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4D08
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | 分子名称: | 1-(5-butoxypyridin-3-yl)-4-methyl-8-(morpholin-4-ylmethyl)[1,2,4]triazolo[4,3-a]quinoxaline, CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, ... | | 著者 | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | 登録日 | 2014-04-24 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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4D09
 | | PDE2a catalytic domain in complex with a brain penetrant inhibitor | | 分子名称: | CGMP-DEPENDENT 3', 5'-CYCLIC PHOSPHODIESTERASE, MAGNESIUM ION, ... | | 著者 | Buijnsters, P, Andres, J.I, DeAngelis, M, Langlois, X, Rombouts, F, Sanderson, W, Tresadern, G, Trabanco, A, VanHoof, G, VanRoosbroeck, Y. | | 登録日 | 2014-04-24 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure-Based Design of a Potent, Selective, and Brain Penetrating Pde2 Inhibitor with Demonstrated Target Engagement.
Acs Med.Chem.Lett., 5, 2014
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