6OVQ
 
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW | | 分子名称: | GLYCEROL, Putative Side chain reductase | | 著者 | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | 登録日 | 2019-05-08 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6OW0
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+ and PEG | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MtmW, ... | | 著者 | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | 登録日 | 2019-05-08 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | | 主引用文献 | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6OVX
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+, P422 form | | 分子名称: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative side chain reductase | | 著者 | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | 登録日 | 2019-05-08 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6P3T
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT449 | | 分子名称: | AMMONIUM ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2019-05-24 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
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6P3V
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT416 | | 分子名称: | DIMETHYL SULFOXIDE, N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine, N-acetyltransferase Eis, ... | | 著者 | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2019-05-24 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
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6P3U
 | | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT335 | | 分子名称: | 1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Punetha, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2019-05-24 | | 公開日 | 2019-09-04 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Probing the Robustness of Inhibitors of Tuberculosis Aminoglycoside Resistance Enzyme Eis by Mutagenesis.
Acs Infect Dis., 5, 2019
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5JW0
 | | Crystal structure of mithramycin analogue MTM SA-Phe in complex with a 10-mer DNA AGGGTACCCT | | 分子名称: | DNA (5'-D(P*AP*GP*GP*GP*TP*AP*CP*CP*CP*T)-3'), Plicamycin, mithramycin analogue MTM SA-Phe, ... | | 著者 | Hou, C, Rohr, J, Tsodikov, O.V. | | 登録日 | 2016-05-11 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016
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5JVT
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5JW2
 | | Crystal structure of mithramycin analogue MTM SA-Phe in complex with a 10-mer DNA AGGGATCCCT | | 分子名称: | DNA (5'-D(*AP*GP*GP*GP*AP*TP*CP*CP*CP*T)-3'), Plicamycin, mithramycin analogue MTM SA-Phe, ... | | 著者 | Hou, C, Rohr, J, Tsodikov, O.V. | | 登録日 | 2016-05-11 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016
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5JVW
 | | Crystal structure of mithramycin analogue MTM SA-Trp in complex with a 10-mer DNA AGAGGCCTCT. | | 分子名称: | DNA (5'-D(*AP*GP*AP*GP*GP*CP*CP*TP*CP*T)-3'), Plicamycin, mithramycin analogue MTM SA-Trp, ... | | 著者 | Hou, C, Rohr, J, Tsodikov, O.V. | | 登録日 | 2016-05-11 | | 公開日 | 2016-09-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structures of mithramycin analogues bound to DNA and implications for targeting transcription factor FLI1.
Nucleic Acids Res., 44, 2016
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5KDE
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 1 and inorganic pyrophosphate | | 分子名称: | 2,4-bis(aziridin-1-yl)-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine, Inorganic pyrophosphatase, PYROPHOSPHATE 2- | | 著者 | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2016-06-08 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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5KDF
 | | Inorganic pyrophosphatase from Mycobacterium tuberculosis in complex with inhibitor 6 and inorganic pyrophosphate | | 分子名称: | CALCIUM ION, Inorganic pyrophosphatase, PYROPHOSPHATE 2-, ... | | 著者 | Pang, A.H, Garzan, A, Garneau-Tsodikova, S, Tsodikov, O.V. | | 登録日 | 2016-06-08 | | 公開日 | 2016-09-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Discovery of Allosteric and Selective Inhibitors of Inorganic Pyrophosphatase from Mycobacterium tuberculosis.
ACS Chem. Biol., 11, 2016
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8CT0
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8D1R
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT520 | | 分子名称: | 1-{3-[(4-chlorophenyl)methoxy]phenyl}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 (2.19 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
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8D25
 | | Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT530 | | 分子名称: | 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-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 (2.05 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
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8D23
 | | 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
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8F4W
 | | 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
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8F4Z
 | | 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
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8F55
 | | 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
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8F57
 | | 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
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8F4A
 | | 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
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8F4T
 | | 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
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8F4U
 | | 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
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8F58
 | | 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
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8F51
 | | 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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