8QHO
 
 | | Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol | | Descriptor: | 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2023-09-08 | | Release date: | 2024-09-18 | | Last modified: | 2025-04-02 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
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8QKZ
 | | Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol at pH 9.0 | | Descriptor: | 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2023-09-18 | | Release date: | 2024-10-02 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
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8Q6L
 | | human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol | | Descriptor: | 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, Carbonic anhydrase 1, SODIUM ION, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2023-08-13 | | Release date: | 2024-08-21 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
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8Q7G
 | | Human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol pH 7.0 | | Descriptor: | 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, ACETATE ION, Carbonic anhydrase 1, ... | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2023-08-16 | | Release date: | 2024-08-28 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
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8QQ9
 | | human carbonic anhydrase I in complex with 1-benzyl-3-(1-hydroxy-3,4-dihydro-1H-benzo[c][1,2]oxaborinin-7-yl)thiourea | | Descriptor: | 1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea, Carbonic anhydrase 1, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2023-10-04 | | Release date: | 2024-10-16 | | Last modified: | 2025-04-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
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