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PDB: 7 件

9D79
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BU of 9d79 by Molmil
OXA-58-NA-1-157 1.5 min complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, GLYCEROL
著者Smith, C.A, Maggiolo, A.O, Toth, M, Vakulenko, S.B.
登録日2024-08-16
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024
9D7A
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BU of 9d7a by Molmil
OXA-58-NA-1-157 5 min complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase
著者Smith, C.A, Maggiolo, A.O, Toth, M, Vakulenko, S.B.
登録日2024-08-16
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024
9D78
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BU of 9d78 by Molmil
Apo-OXA-58 carbapenemase
分子名称: Beta-lactamase
著者Maggiolo, A.O, Smith, C.A, Toth, M, Vakulenko, S.B.
登録日2024-08-16
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024
9D7C
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BU of 9d7c by Molmil
OXA-58-NA-1-157 10 min complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CARBON DIOXIDE
著者Smith, C.A, Maggiolo, A.O, Toth, M, Vakulenko, S.B.
登録日2024-08-16
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024
9D7B
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BU of 9d7b by Molmil
OXA-58-NA-1-157 7.5 min complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase
著者Smith, C.A, Maggiolo, A.O, Toth, M, Vakulenko, S.B.
登録日2024-08-16
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024
9D8C
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BU of 9d8c by Molmil
OXA-58-NA-1-157 2.5 hour complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase
著者Smith, C.A, Maggiolo, A.O, Toth, M, Vakulenko, S.B.
登録日2024-08-19
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024
9D7D
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BU of 9d7d by Molmil
OXA-58-NA-1-157 20 min complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, ACETATE ION, Beta-lactamase, ...
著者Smith, C.A, Maggiolo, A.O, Toth, M, Vakulenko, S.B.
登録日2024-08-16
公開日2024-12-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Decarboxylation of the Catalytic Lysine Residue by the C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Leads to Potent Inhibition of the OXA-58 Carbapenemase.
Acs Infect Dis., 10, 2024

238582

件を2025-07-09に公開中

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