7BG5
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7BHH
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5JUV
| STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-b-Galactopyranosyl galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, PENTAETHYLENE GLYCOL, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-05-10 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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5IHR
| STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | Deposit date: | 2016-02-29 | Release date: | 2017-04-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages. FEBS J., 284, 2017
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6ZTG
| Spor protein DedD | Descriptor: | Cell division protein DedD | Authors: | Pazos, M, Peters, K, Boes, A, Safaei, Y, Kenward, C, Caveney, N.A, Laguri, C, Breukink, E, Strynadka, N.C.J, Simorre, J.P, Terrak, M, Vollmer, W. | Deposit date: | 2020-07-20 | Release date: | 2020-11-11 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | SPOR Proteins Are Required for Functionality of Class A Penicillin-Binding Proteins in Escherichia coli. Mbio, 11, 2020
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7BFA
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3HHY
| Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with catechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, CATECHOL, CHLORIDE ION, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-18 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | 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
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3HKP
| Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-25 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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6YJN
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7QSI
| human Carbonic Anhydrase II in complex with indoline-1-sulfonamide | Descriptor: | 2,3-dihydroindole-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2022-01-13 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.304 Å) | Cite: | Diversely substituted sulfamides for fragment-based drug discovery of carbonic anhydrase inhibitors: synthesis and inhibitory profile. J Enzyme Inhib Med Chem, 37, 2022
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6YN0
| Structure of E. coli PBP1b with a FtsN peptide activating transglycosylase activity | Descriptor: | Cell division protein FtsN, MOENOMYCIN, Penicillin-binding protein 1B | Authors: | Kerff, F, Terrak, M, Boes, A, Herman, H, Charlier, P. | Deposit date: | 2020-04-10 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The bacterial cell division protein fragment E FtsN binds to and activates the major peptidoglycan synthase PBP1b. J.Biol.Chem., 295, 2020
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3I4Y
| Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 3,5-dichlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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
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3I51
| Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 4,5-dichlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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3HHX
| Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with pyrogallol | Descriptor: | (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, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F. | Deposit date: | 2009-05-18 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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3HJQ
| Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with 3-methylcatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3-METHYLCATECHOL, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-22 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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3HJS
| Crystal structure of catechol 1,2-dioxygenase from Rhodococcus opacus 1CP in complex with 4-methylcatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4-METHYLCATECHOL, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-22 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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
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3HJ8
| Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 4-chlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4-CHLOROBENZENE-1,2-DIOL, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-21 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | 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
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7QNV
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7QOB
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3I4V
| Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 3-chlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3-chlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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7OK8
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7ORP
| crystal structure of human carbonic anhydrase II in complex with 4-((2-hydroxy-3-((3,4,5-trimethoxyphenyl)tellanyl)propyl)selanyl)benzenesulfonamide | Descriptor: | 4-[(2R)-2-oxidanyl-3-(3,4,5-trimethylphenyl)tellanyl-propyl]selanylbenzenesulfonamide, 4-[(2S)-2-oxidanyl-3-(3,4,5-trimethoxyphenyl)tellanyl-propyl]selanylbenzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Angeli, A, Ferraroni, M. | Deposit date: | 2021-06-06 | Release date: | 2022-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Chalcogenides-incorporating carbonic anhydrase inhibitors concomitantly reverted oxaliplatin-induced neuropathy and enhanced antiproliferative action. Eur.J.Med.Chem., 225, 2021
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7ORQ
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8EV1
| Dual Modulators | Descriptor: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | Deposit date: | 2022-10-19 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
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8EV2
| Dual Modulators | Descriptor: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ... | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | Deposit date: | 2022-10-19 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors. Eur.J.Med.Chem., 246, 2022
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