6SDS
| HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ZINC ION, ... | 著者 | Alterio, V, De Simone, G, Esposito, D. | 登録日 | 2019-07-29 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | 主引用文献 | Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy. J.Med.Chem., 63, 2020
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8P9E
| Crystal structure of wild type p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11 | 分子名称: | Darpin 1810 F11, GLYCEROL, Isoform 2 of Tumor protein 63, ... | 著者 | Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2023-06-05 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma. Cell Death Dis, 14, 2023
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3IBL
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3IBI
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3IAI
| Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 9, ... | 著者 | Alterio, V, Di Fiore, A, De Simone, G. | 登録日 | 2009-07-14 | 公開日 | 2009-09-08 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX. Proc.Natl.Acad.Sci.USA, 106, 2009
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3IBN
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3IBU
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3K2F
| Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma | 分子名称: | (2S)-2,3-bis(nitrooxy)propyl ethyl[(4S,6S)-6-methyl-7,7-dioxido-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamate, Carbonic anhydrase 2, MERCURY (II) ION, ... | 著者 | Temperini, C, Cecchi, A. | 登録日 | 2009-09-30 | 公開日 | 2009-11-17 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma Bioorg.Med.Chem.Lett., 19, 2009
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3K7K
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3KWA
| Polyamines inhibit carbonic anhydrases | 分子名称: | Carbonic anhydrase 2, MERCURY (II) ION, SPERMINE, ... | 著者 | Temperini, C. | 登録日 | 2009-12-01 | 公開日 | 2010-07-14 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule J.Med.Chem., 53, 2010
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3LXE
| Human Carbonic Anhydrase I in complex with topiramate | 分子名称: | Carbonic anhydrase 1, ZINC ION, [(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate | 著者 | Alterio, V, De Simone, G, Monti, S.M, Truppo, E. | 登録日 | 2010-02-25 | 公開日 | 2010-07-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex. Org.Biomol.Chem., 2010
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3M1J
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3M1K
| Carbonic Anhydrase in complex with fragment | 分子名称: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, ... | 著者 | Schulze Wischeler, J, Heine, A, Klebe, G. | 登録日 | 2010-03-05 | 公開日 | 2010-11-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Bidentate Zinc chelators for alpha-carbonic anhydrases that produce a trigonal bipyramidal coordination geometry. Chemmedchem, 5, 2010
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3MHC
| Crystal structure of human cabonic anhydrase II in adduct with an adamantyl analogue of acetazolamide in a novel hydrophobic binding pocket | 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, ZINC ION | 著者 | Avvaru, B.S. | 登録日 | 2010-04-07 | 公開日 | 2010-07-21 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3MNA
| The crystal structure of human carbonic anhydrase Ii in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | 分子名称: | Carbonic anhydrase 2, GLYCEROL, ZINC ION, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | 登録日 | 2010-04-21 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MMF
| Crystal structure of human carbonic anhydrase II in complex with a 1,3,5-triazine-substituted benzenesulfonamide inhibitor | 分子名称: | 4-({4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | 登録日 | 2010-04-19 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies. Bioorg.Med.Chem., 19, 2011
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3MNU
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3ML2
| Human carbonic anhydsase II in complex with an aryl sulfonamide inhibitor | 分子名称: | 2-(7-methoxy-2-oxo-2H-chromen-4-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | 登録日 | 2010-04-16 | 公開日 | 2011-04-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations. Bioorg.Med.Chem., 18, 2010
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3N2P
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-{[(3-nitrophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | 登録日 | 2010-05-18 | 公開日 | 2011-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.648 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3MZC
| Human carbonic ahydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-[(cyclopentylcarbamoyl)amino]benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, Mckenna, R. | 登録日 | 2010-05-12 | 公開日 | 2011-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.498 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N3J
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | 登録日 | 2010-05-20 | 公開日 | 2011-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N4B
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | 登録日 | 2010-05-21 | 公開日 | 2011-03-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3N0N
| Crystal structure of human carbonic anhydrase II in complex with a benzenesulfonamide inhibitor | 分子名称: | 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Avvaru, B.S, Wagner, J, Robbins, A.H, McKenna, R. | 登録日 | 2010-05-14 | 公開日 | 2011-03-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido-benzenesulfonamides and correlate to inhibitor potency. Chem.Commun.(Camb.), 46, 2010
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3NB5
| Human carbonic anhydrase II in complex with 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide | 分子名称: | 2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Hofmann, A, Osman, A, Davis, R.A. | 登録日 | 2010-06-02 | 公開日 | 2011-04-20 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Natural Product-Based Phenols as Novel Probes for Mycobacterial and Fungal Carbonic Anhydrases J.Med.Chem., 54, 2011
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4Z1E
| Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | 分子名称: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium, Carbonic anhydrase 2, ZINC ION | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | 登録日 | 2015-03-27 | 公開日 | 2015-08-26 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms. Eur.J.Med.Chem., 102, 2015
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