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PDB: 5 件

8QHO
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BU of 8qho by Molmil
Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol
分子名称: 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, Carbonic anhydrase 2, GLYCEROL, ...
著者Angeli, A, Ferraroni, M.
登録日2023-09-08
公開日2024-09-18
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
8QKZ
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BU of 8qkz by Molmil
Human Carbonic Anhydrase II in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol at pH 9.0
分子名称: 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ...
著者Angeli, A, Ferraroni, M.
登録日2023-09-18
公開日2024-10-02
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献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
8Q6L
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BU of 8q6l by Molmil
human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol
分子名称: 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, Carbonic anhydrase 1, SODIUM ION, ...
著者Angeli, A, Ferraroni, M.
登録日2023-08-13
公開日2024-08-21
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Benzoxaborinine, New Chemotype for Carbonic Anhydrase Inhibition: Ex Novo Synthesis, Crystallography, In Silico Studies, and Anti-Melanoma Cell Line Activity.
J.Med.Chem., 67, 2024
8Q7G
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BU of 8q7g by Molmil
Human Carbonic Anhydrase I in complex with 3,4-dihydro-1H-benzo[c][1,2]oxaborinin-1-ol pH 7.0
分子名称: 1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinine, ACETATE ION, Carbonic anhydrase 1, ...
著者Angeli, A, Ferraroni, M.
登録日2023-08-16
公開日2024-08-28
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献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
8QQ9
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BU of 8qq9 by Molmil
human carbonic anhydrase I in complex with 1-benzyl-3-(1-hydroxy-3,4-dihydro-1H-benzo[c][1,2]oxaborinin-7-yl)thiourea
分子名称: 1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea, Carbonic anhydrase 1, ZINC ION
著者Angeli, A, Ferraroni, M.
登録日2023-10-04
公開日2024-10-16
最終更新日2025-04-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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

238582

件を2025-07-09に公開中

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