2I6Z
| |
2POU
| The crystal structure of the human carbonic anhydrase II in complex with 4,5-dichloro-benzene-1,3-disulfonamide | 分子名称: | 4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, De Simone, G. | 登録日 | 2007-04-27 | 公開日 | 2007-07-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2POW
| The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide | 分子名称: | 4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, De Simone, G. | 登録日 | 2007-04-27 | 公開日 | 2007-07-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2POV
| The crystal structure of the human carbonic anhydrase II in complex with 4-amino-6-chloro-benzene-1,3-disulfonamide | 分子名称: | 4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE, Carbonic anhydrase 2, ZINC ION | 著者 | Alterio, V, De Simone, G. | 登録日 | 2007-04-27 | 公開日 | 2007-07-24 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides-Solution and crystallographic studies. Bioorg.Med.Chem.Lett., 17, 2007
|
|
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
|
|
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
|
|
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
|
|
3NJZ
| Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with salicylate | 分子名称: | 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I. | 登録日 | 2010-06-18 | 公開日 | 2011-07-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases. J.Struct.Biol., 177, 2012
|
|
3NL1
| Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with gentisate | 分子名称: | 2,5-dihydroxybenzoic acid, FE (II) ION, GLYCEROL, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I. | 登録日 | 2010-06-21 | 公開日 | 2011-07-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.155 Å) | 主引用文献 | Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases. J.Struct.Biol., 177, 2012
|
|
3NKT
| Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans Adducts with naphthoate | 分子名称: | 1-hydroxynaphthalene-2-carboxylic acid, FE (II) ION, GLYCEROL, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I. | 登録日 | 2010-06-21 | 公開日 | 2011-07-13 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Crystal structures of salicylate 1,2-dioxygenase-substrates adducts: A step towards the comprehension of the structural basis for substrate selection in class III ring cleaving dioxygenases. J.Struct.Biol., 177, 2012
|
|
3NST
| Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans | 分子名称: | FE (II) ION, GLYCEROL, Gentisate 1,2-dioxygenase | 著者 | Ferraroni, M, Briganti, F, Matera, I. | 登録日 | 2010-07-02 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate. FEBS J., 280, 2013
|
|
3NVC
| Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex with salicylate | 分子名称: | 2-HYDROXYBENZOIC ACID, FE (II) ION, GLYCEROL, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I. | 登録日 | 2010-07-08 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate. FEBS J., 280, 2013
|
|
3NW4
| Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter salicylatoxidans in complex with gentisate | 分子名称: | 2,5-dihydroxybenzoic acid, FE (II) ION, GLYCEROL, ... | 著者 | Ferraroni, M, Briganti, F, Matera, I. | 登録日 | 2010-07-09 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The salicylate 1,2-dioxygenase as a model for a conventional gentisate 1,2-dioxygenase: crystal structures of the G106A mutant and its adducts with gentisate and salicylate. FEBS J., 280, 2013
|
|
5NEA
| Crystal structure of human carbonic anhydrase II in complex with the inhibitor 4-(2-methyl-1,3-oxazol-5-yl)benzene-1-sulfonammide | 分子名称: | 1,2-ETHANEDIOL, 4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide, Carbonic anhydrase 2, ... | 著者 | Ferraroni, M, Supuran, C.T, Krasavin, M. | 登録日 | 2017-03-10 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads. Bioorg. Med. Chem., 25, 2017
|
|
5NEE
| Crystal structure of human carbonic anhydrase II in complex with the inhibitor 5-[2-(morpholine-4-carbonyl)1,3-oxazol-5-yl)]thiophene-2-sulfonammide | 分子名称: | 5-(2-morpholin-4-ylcarbonyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Ferraroni, M, Supuran, C.T, Krasavin, M. | 登録日 | 2017-03-10 | 公開日 | 2017-12-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 1,3-Oxazole-based selective picomolar inhibitors of cytosolic human carbonic anhydrase II alleviate ocular hypertension in rabbits: Potency is supported by X-ray crystallography of two leads. Bioorg. Med. Chem., 25, 2017
|
|
3R17
| |
3O6R
| Crystal Structure of 4-Chlorocatechol Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | 分子名称: | (2R)-3-(PHOSPHONOOXY)-2-(TETRADECANOYLOXY)PROPYL PALMITATE, BENZENE-1,2,3-TRIOL, Chlorocatechol 1,2-dioxygenase, ... | 著者 | Ferraroni, M, Briganti, F, Kolomitseva, M, Golovleva, L. | 登録日 | 2010-07-29 | 公開日 | 2011-08-17 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | X-ray structures of 4-chlorocatechol 1,2-dioxygenase adducts with substituted catechols: new perspectives in the molecular basis of intradiol ring cleaving dioxygenases specificity. J. Struct. Biol., 181, 2013
|
|
3R16
| Human CAII bound to N-(4-sulfamoylphenyl)-2-(thiophen-2-yl) acetamide | 分子名称: | Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Biswas, S, McKenna, R, Supuran, C.T. | 登録日 | 2011-03-09 | 公開日 | 2011-05-25 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms. Bioorg.Med.Chem., 19, 2011
|
|
3HHX
| Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | 分子名称: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, BENZENE-1,2,3-TRIOL, Catechol 1,2-dioxygenase, ... | 著者 | Matera, I, Ferraroni, M, Briganti, F. | 登録日 | 2009-05-18 | 公開日 | 2010-01-26 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
|
|
3K7K
| |
3EFT
| Crystal structure of the complex between Carbonic Anhydrase II and a spin-labeled sulfonamide incorporating TEMPO moiety | 分子名称: | 3-chloro-4-{[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamothioyl]amino}benzenesulfonamide, Carbonic anhydrase 2, MERCURY (II) ION, ... | 著者 | Temperini, C, Cecchi, A, Scozzafava, A, Supuran, C.T. | 登録日 | 2008-09-10 | 公開日 | 2009-09-08 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Dissecting the Inhibition Mechanism of Cytosolic versus Transmembrane Carbonic Anhydrases by ESR J.Phys.Chem.B, 113, 2009
|
|
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
|
|
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
|
|
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
|
|
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
|
|