6VUW
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![BU of 6vuw by Molmil](/molmil-images/mine/6vuw) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368 | 分子名称: | (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, GLYCEROL, N-acetyltransferase Eis, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.87 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VUR
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![BU of 6vur by Molmil](/molmil-images/mine/6vur) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 | 分子名称: | 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VV3
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![BU of 6vv3 by Molmil](/molmil-images/mine/6vv3) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358 | 分子名称: | 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VUS
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![BU of 6vus by Molmil](/molmil-images/mine/6vus) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT379 | 分子名称: | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, GLYCEROL, N-acetyltransferase Eis | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VV2
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![BU of 6vv2 by Molmil](/molmil-images/mine/6vv2) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348 | 分子名称: | 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VUT
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![BU of 6vut by Molmil](/molmil-images/mine/6vut) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT392 | 分子名称: | 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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6VUX
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![BU of 6vux by Molmil](/molmil-images/mine/6vux) | Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388 | 分子名称: | 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V. | 登録日 | 2020-02-16 | 公開日 | 2020-06-03 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | 主引用文献 | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. Acs Chem.Biol., 15, 2020
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8D1R
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![BU of 8d1r by Molmil](/molmil-images/mine/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
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![BU of 8d25 by Molmil](/molmil-images/mine/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
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![BU of 8d23 by Molmil](/molmil-images/mine/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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8F55
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![BU of 8f55 by Molmil](/molmil-images/mine/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
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![BU of 8f57 by Molmil](/molmil-images/mine/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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8F4T
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![BU of 8f4t by Molmil](/molmil-images/mine/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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8F4W
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![BU of 8f4w by Molmil](/molmil-images/mine/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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8F58
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![BU of 8f58 by Molmil](/molmil-images/mine/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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8F4Z
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![BU of 8f4z by Molmil](/molmil-images/mine/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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8F4U
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![BU of 8f4u by Molmil](/molmil-images/mine/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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8F51
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![BU of 8f51 by Molmil](/molmil-images/mine/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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8F4A
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![BU of 8f4a by Molmil](/molmil-images/mine/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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8CT0
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![BU of 8ct0 by Molmil](/molmil-images/mine/8ct0) | |
8E7Q
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![BU of 8e7q by Molmil](/molmil-images/mine/8e7q) | Crystal Structure of FosB from Bacillus cereus with Zinc and 2-Phosphonopropionic acid | 分子名称: | (2S)-2-phosphonopropanoic acid, FORMIC ACID, MAGNESIUM ION, ... | 著者 | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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8E7R
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![BU of 8e7r by Molmil](/molmil-images/mine/8e7r) | Crystal Structure of FosB from Bacillus cereus with Zinc and Phosphonoacetate | 分子名称: | FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ... | 著者 | Travis, S, Tsodikov, O.V, Garneau-Tsodikova, S, Thompson, M.K. | 登録日 | 2022-08-24 | 公開日 | 2023-06-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.975 Å) | 主引用文献 | Identification and analysis of small molecule inhibitors of FosB from Staphylococcus aureus. Rsc Med Chem, 14, 2023
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6VGD
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![BU of 6vgd by Molmil](/molmil-images/mine/6vgd) | |
6VG2
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![BU of 6vg2 by Molmil](/molmil-images/mine/6vg2) | |
6VGG
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![BU of 6vgg by Molmil](/molmil-images/mine/6vgg) | Crystal structure of the DNA binding domains of human transcription factor ERG, human Runx2 bound to core binding factor beta (Cbfb), and mithramycin, in complex with 16mer DNA CAGAGGATGTGGCTTC | 分子名称: | Core-binding factor subunit beta, DNA (5'-D(P*CP*AP*GP*AP*GP*GP*AP*TP*GP*TP*GP*GP*CP*TP*TP*C)-3'), DNA (5'-D(P*GP*AP*AP*GP*CP*CP*AP*CP*AP*TP*CP*CP*TP*CP*TP*G)-3'), ... | 著者 | Hou, C, Rohr, J, Tsodikov, O.V. | 登録日 | 2020-01-08 | 公開日 | 2020-11-25 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (4.31 Å) | 主引用文献 | Allosteric interference in oncogenic FLI1 and ERG transactions by mithramycins. Structure, 29, 2021
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