6NTN
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![BU of 6ntn by Molmil](/molmil-images/mine/6ntn) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 in Complex with the Reactivator, HI-6 | 分子名称: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | 登録日 | 2019-01-29 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.697 Å) | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6NTH
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![BU of 6nth by Molmil](/molmil-images/mine/6nth) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by (S) Stereoisomer of A-232 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | 登録日 | 2019-01-29 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.421 Å) | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6O5V
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![BU of 6o5v by Molmil](/molmil-images/mine/6o5v) | Binary complex of native hAChE with oxime reactivator RS-170B | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-04 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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6O66
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![BU of 6o66 by Molmil](/molmil-images/mine/6o66) | |
6NEA
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![BU of 6nea by Molmil](/molmil-images/mine/6nea) | Human Acetylcholinesterase in complex with reactivator, HLo7 | 分子名称: | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bester, S.M, McGuire, J, Height, J.J, Pegan, S.D. | 登録日 | 2018-12-17 | 公開日 | 2019-06-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.419 Å) | 主引用文献 | Synthesis and Molecular Properties of Nerve Agent Reactivator HLo-7 Dimethanesulfonate. Acs Med.Chem.Lett., 10, 2019
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6NTL
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![BU of 6ntl by Molmil](/molmil-images/mine/6ntl) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-234 | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | 登録日 | 2019-01-29 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6NTK
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![BU of 6ntk by Molmil](/molmil-images/mine/6ntk) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-232 | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | 登録日 | 2019-01-29 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.406 Å) | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6NTO
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![BU of 6nto by Molmil](/molmil-images/mine/6nto) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by A-230 | 分子名称: | (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Bester, S.M, Guelta, M.A, Height, J.J, Pegan, S.D. | 登録日 | 2019-01-29 | 公開日 | 2020-07-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | 主引用文献 | Insights into inhibition of human acetylcholinesterase by Novichok, A-series Nerve Agents To Be Published
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6O5R
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![BU of 6o5r by Molmil](/molmil-images/mine/6o5r) | |
6WVQ
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![BU of 6wvq by Molmil](/molmil-images/mine/6wvq) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GP | 分子名称: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-06 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.289 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WVC
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![BU of 6wvc by Molmil](/molmil-images/mine/6wvc) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GD | 分子名称: | (1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-05 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.599 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WVP
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![BU of 6wvp by Molmil](/molmil-images/mine/6wvp) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GF | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-06 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.308 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WUV
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![BU of 6wuv by Molmil](/molmil-images/mine/6wuv) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GA | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-05 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WUY
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![BU of 6wuy by Molmil](/molmil-images/mine/6wuy) | Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GA and HI-6 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-05 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WV1
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![BU of 6wv1 by Molmil](/molmil-images/mine/6wv1) | Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GB and HI-6 | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-05 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.372 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WUZ
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![BU of 6wuz by Molmil](/molmil-images/mine/6wuz) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by GB | 分子名称: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-05 | 公開日 | 2021-02-24 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.253 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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6WVO
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![BU of 6wvo by Molmil](/molmil-images/mine/6wvo) | Crystal Structure of Recombinant Human Acetylcholinesterase In Complex with GD and HI-6 | 分子名称: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | McGuire, J.R, Bester, S.M, Pegan, S.D, Height, J.J. | 登録日 | 2020-05-06 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Structural and Biochemical Insights into the Inhibition of Human Acetylcholinesterase by G-Series Nerve Agents and Subsequent Reactivation by HI-6. Chem.Res.Toxicol., 34, 2021
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8AEV
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![BU of 8aev by Molmil](/molmil-images/mine/8aev) | Human acetylcholinesterase in complex with N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | 分子名称: | 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Nachon, F, Dias, J, Brazzolotto, X. | 登録日 | 2022-07-13 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.89 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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7Y5Z
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![BU of 7y5z by Molmil](/molmil-images/mine/7y5z) | CryoEM structure of human PS2-containing gamma-secretase | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | 登録日 | 2022-06-18 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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8AEN
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![BU of 8aen by Molmil](/molmil-images/mine/8aen) | Human acetylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Nachon, F, Dias, J, Brazzolotto, X. | 登録日 | 2022-07-13 | 公開日 | 2023-06-21 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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4GSF
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![BU of 4gsf by Molmil](/molmil-images/mine/4gsf) | The structure analysis of cysteine free insulin degrading enzyme (ide) with (s)-2-{2-[carboxymethyl-(3-phenyl-propionyl)-amino]-acetylamino}-3-(3h-imidazol-4-yl)-propionic acid methyl ester | 分子名称: | Insulin-degrading enzyme, ZINC ION, methyl N-(carboxymethyl)-N-(3-phenylpropanoyl)glycyl-D-histidinate | 著者 | Guo, Q, Deprez-Poulain, R, Deprez, B, Tang, W.J. | 登録日 | 2012-08-27 | 公開日 | 2013-08-28 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure-activity relationships of imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, dual binders of human insulin-degrading enzyme. Eur.J.Med.Chem., 90, 2015
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7Y5X
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![BU of 7y5x by Molmil](/molmil-images/mine/7y5x) | CryoEM structure of PS2-containing gamma-secretase treated with MRK-560 | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Guo, X, Wang, Y, Zhou, J, Jin, C, Wang, J, Jia, B, Jing, D, Yan, C, Lei, J, Zhou, R, Shi, Y. | 登録日 | 2022-06-17 | 公開日 | 2022-11-02 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | Molecular basis for isoform-selective inhibition of presenilin-1 by MRK-560. Nat Commun, 13, 2022
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6U34
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![BU of 6u34 by Molmil](/molmil-images/mine/6u34) | Binary complex of native hAChE with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U37
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![BU of 6u37 by Molmil](/molmil-images/mine/6u37) | Structure of VX-phosphonylated hAChE in complex with oxime reactivator RS194B | 分子名称: | (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide, Acetylcholinesterase, GLYCEROL, ... | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-21 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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6U3P
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![BU of 6u3p by Molmil](/molmil-images/mine/6u3p) | Binary complex of native hAChE with oxime reactivator LG-703 | 分子名称: | (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide], Acetylcholinesterase, DIMETHYL SULFOXIDE | 著者 | Kovalevsky, A, Gerlits, O, Radic, Z. | 登録日 | 2019-08-22 | 公開日 | 2020-02-12 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase. J.Biol.Chem., 295, 2020
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