PDB: 1334 件ウェブページステータス検索Chemie searchBIRD

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6H29	HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH BENZYL CARBAMATE 分子名称: (phenylmethyl) carbamate, Carbonic anhydrase 2, ZINC ION 著者 Alterio, V, De Simone, G. 登録日 2018-07-13 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding. Chem. Commun. (Camb.), 54, 2018
5OHH	Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2017-07-17 公開日 2018-08-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 Crystal structure of human carbonic anhydrase isozyme XIII with 2-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To be published
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
5WLU	Carbonic Anhydrase IX-mimic 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 IX-mimic, ZINC ION 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 (1.39 Å) 主引用文献 Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs To Be Published
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
5WLR	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 IX-mimic, 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 (1.49 Å) 主引用文献 Hybrids for multitargeted therapy Beta Adrenergic Receptor modulators CAIs To Be Published
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
5OGP	Metalacarborane inhibitors of Carbonic Anhydrase IX 分子名称: Carbonic anhydrase 2, ZINC ION, cobaltcarborane 著者 Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V. 登録日 2017-07-13 公開日 2018-08-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX. J.Med.Chem., 2019
5OGO	Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, BICINE, ... 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2017-07-13 公開日 2018-08-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Crystal structure of chimeric carbonic anhydrase I with 3-(Benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide To be published
5OGJ	Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide 分子名称: 1,2-ETHANEDIOL, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, ACETATE ION, ... 著者 Manakova, E, Smirnov, A, Grazulis, S. 登録日 2017-07-13 公開日 2018-08-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.06 Å) 主引用文献 Crystal structure of human carbonic anhydrase isozyme XIII with 2-(Cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide To be published
5OGN	Metalacarborane inhibitors of Carbonic Anhydrase IX 分子名称: Carbonic anhydrase 2, ZINC ION, cobaltcarborane 著者 Brynda, J, Rezacova, P, Pospisilova, K, Kugler, M, Gruner, B, Sicha, V. 登録日 2017-07-13 公開日 2018-08-01 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Metallacarborane Sulfamides: Unconventional, Specific, and Highly Selective Inhibitors of Carbonic Anhydrase IX. J.Med.Chem., 2019
5YUK	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUI	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: CARBON DIOXIDE, Carbonic anhydrase 2, GLYCEROL, ... 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
5YUJ	CO2 release in human carbonic anhydrase II crystals: reveal histidine 64 and solvent dynamics 分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION 著者 Kim, C.U, Park, S.Y, McKenna, R. 登録日 2017-11-22 公開日 2018-08-01 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.25 Å) 主引用文献 Tracking solvent and protein movement during CO2 release in carbonic anhydrase II crystals. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
6FE0	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. 分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2017-12-28 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
6FE2	Three dimensional structure of human carbonic anhydrase IX 分子名称: Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2017-12-28 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
6FE1	Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2017-12-28 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
6G9U	Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide 分子名称: 4-[2-[3-(cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2018-04-11 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
6G98	Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide 分子名称: 4-[2-[3-(cyclododecylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid, Carbonic anhydrase 9, ZINC ION 著者 Leitans, J, Tars, K. 登録日 2018-04-10 公開日 2018-07-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget, 9, 2018
6D1L	Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects 分子名称: 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T. 登録日 2018-04-12 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem, 154, 2018
6D1M	Design, synthesis, and X-ray of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects 分子名称: 4-(cyclohexylselanyl)benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... 著者 Peat, T.S, Angeli, A, di Cesare Mannelli, L, Micheli, L, Ghelardini, C, Supuran, C.T. 登録日 2018-04-12 公開日 2018-06-13 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Design, synthesis and X-ray crystallography of selenides bearing benzenesulfonamide moiety with neuropathic pain modulating effects. Eur J Med Chem, 154, 2018
5ZXW	Crystal structure of human carbonic anhydrase II crystallized by ammonium sulfate 分子名称: Carbonic anhydrase 2, SULFATE ION, ZINC ION 著者 Kitahara, M, Fudo, S, Yoneda, T, Nukaga, M, Hoshino, T. 登録日 2018-05-22 公開日 2018-06-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.316 Å) 主引用文献 Anisotropic Distribution of Ammonium Sulfate Ions in Protein Crystallization Cryst.Growth Des., 19, 2019
6EVR	Crystal structure of human carbonic anhydrase I in complex with the 4-(4 acetyl-3-benzylpiperazine-1 carbonyl)benzene-1-sulfonamide inhibitor 分子名称: 4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, ACETATE ION, Carbonic anhydrase 1, ... 著者 Ferraroni, M, Supuran, C.T, Chiapponi, D, Chiaramonte, N. 登録日 2017-11-02 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 2-Benzylpiperazine: A new scaffold for potent human carbonic anhydrase inhibitors. Synthesis, enzyme inhibition, enantioselectivity, computational and crystallographic studies and in vivo activity for a new class of intraocular pressure lowering agents. Eur J Med Chem, 151, 2018
6G4T	The crystal structure of uninhibited C183S/C217S mutant of human CA VII 分子名称: Carbonic anhydrase 7, ZINC ION 著者 Di Fiore, A, D'Ambrosio, K, De Simone, G. 登録日 2018-03-28 公開日 2018-06-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior. Int J Mol Sci, 19, 2018
5W8B	Carbonic anhydrase II in complex with activating histamine pyridinium derivative 分子名称: 1-[2-(1H-imidazol-5-yl)ethyl]-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium, Carbonic anhydrase 2, GLYCEROL, ... 著者 Bhatt, A, Ilies, M, McKenna, R. 登録日 2017-06-21 公開日 2018-05-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Crystal Structure of Carbonic Anhydrase II in Complex with an Activating Ligand: Implications in Neuronal Function. Mol. Neurobiol., 55, 2018

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