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PDB: 60 件

8D23
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Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT529
分子名称: 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-05-27
公開日2022-09-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Discovery of substituted benzyloxy-benzylamine inhibitors of acetyltransferase Eis and their anti-mycobacterial activity.
Eur.J.Med.Chem., 242, 2022
8F4A
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Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chlorhexidine
分子名称: 1-[6-[azanylidene-[[azanylidene-[[(4-chlorophenyl)amino]methyl]-$l^{4}-azanyl]methyl]-$l^{4}-azanyl]hexyl]-3-[~{N}-(4-chlorophenyl)carbamimidoyl]guanidine, GLYCEROL, N-acetyltransferase Eis
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-10
公開日2023-02-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F55
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Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis H37Rv in complex with inhibitor SGT1614
分子名称: (2E)-2-[(4-chlorophenyl)methylidene]hydrazine-1-carboximidamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F57
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Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1615
分子名称: (1E)-1-[(4-chlorophenyl)methylidene]-2-(3-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-12
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4W
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Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with venlafaxine
分子名称: 1-[(1R)-2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4T
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Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with proguanil
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Punetha, A, Pang, A.H, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F58
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BU of 8f58 by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with inhibitor SGT1616
分子名称: (1E)-1-[(4-chlorophenyl)methylidene]-2-(4-fluorophenyl)hydrazine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-12
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4Z
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Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with chloroquine
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-acetyltransferase Eis, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F4U
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BU of 8f4u by Molmil
Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with azelastine
分子名称: 4-[(4-chlorophenyl)methyl]-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
8F51
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Crystal structure of acetyltransferase Eis from M. tuberculosis in complex with mefloquine
分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Pang, A.H, Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2022-11-11
公開日2023-02-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Mechanistic Analysis of Structurally Diverse Inhibitors of Acetyltransferase Eis among FDA-Approved Drugs.
Biochemistry, 62, 2023
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件を2024-07-24に公開中

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