5GG4
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![BU of 5gg4 by Molmil](/molmil-images/mine/5gg4) | Crystal structure of USP7 with RNF169 peptide | 分子名称: | Peptide from E3 ubiquitin-protein ligase RNF169, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Jiang, Y, Gong, Q. | 登録日 | 2016-06-15 | 公開日 | 2017-03-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (3.11 Å) | 主引用文献 | Dual-utility NLS drives RNF169-dependent DNA damage responses. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8JC3
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![BU of 8jc3 by Molmil](/molmil-images/mine/8jc3) | Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine | 分子名称: | 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | 著者 | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | 登録日 | 2023-05-10 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids. Mol Catal, 550, 2023
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8JC4
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![BU of 8jc4 by Molmil](/molmil-images/mine/8jc4) | Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine | 分子名称: | 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | 著者 | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | 登録日 | 2023-05-10 | 公開日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | 主引用文献 | C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids. Mol Catal, 550, 2023
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6A1K
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![BU of 6a1k by Molmil](/molmil-images/mine/6a1k) | |
7EGN
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![BU of 7egn by Molmil](/molmil-images/mine/7egn) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine | 分子名称: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | 著者 | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | 登録日 | 2021-03-24 | 公開日 | 2021-08-18 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450 Acs Catalysis, 11, 2021
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7WDH
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![BU of 7wdh by Molmil](/molmil-images/mine/7wdh) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | 分子名称: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | 著者 | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | 登録日 | 2021-12-21 | 公開日 | 2022-12-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
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7WDG
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![BU of 7wdg by Molmil](/molmil-images/mine/7wdg) | Crystal structure of the P450 BM3 heme domain mutant F87L in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine | 分子名称: | (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ... | 著者 | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | 登録日 | 2021-12-21 | 公開日 | 2022-12-28 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons. Angew.Chem.Int.Ed.Engl., 62, 2023
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7Y0T
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![BU of 7y0t by Molmil](/molmil-images/mine/7y0t) | Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanyl-L-phenylalanine | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, I7X-PHE-PHE, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Jiang, Y, Dong, S, Feng, Y, Cong, Z. | 登録日 | 2022-06-06 | 公開日 | 2023-06-14 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase. Angew.Chem.Int.Ed.Engl., 62, 2023
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7CM6
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![BU of 7cm6 by Molmil](/molmil-images/mine/7cm6) | |
7CM5
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![BU of 7cm5 by Molmil](/molmil-images/mine/7cm5) | |
7CM7
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![BU of 7cm7 by Molmil](/molmil-images/mine/7cm7) | |
3U4O
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![BU of 3u4o by Molmil](/molmil-images/mine/3u4o) | Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides | 分子名称: | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | 著者 | Anilkumar, G.N, Selyutin, O, Rosenblum, S.B, Zeng, Q, Jiang, Y, Chan, T.-Y, Pu, H, Wang, L, Bennett, F, Chen, K.X, Lesburg, C.A, Duca, J.S, Gavalas, S, Huang, Y, Pinto, P, Sannigrahi, M, Velazquez, F, Venkataraman, S, Vilbubhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Huang, H.-C, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | 登録日 | 2011-10-10 | 公開日 | 2011-12-07 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides. Bioorg.Med.Chem.Lett., 22, 2012
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2FY8
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![BU of 2fy8 by Molmil](/molmil-images/mine/2fy8) | |
6XJX
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![BU of 6xjx by Molmil](/molmil-images/mine/6xjx) | MCU holocomplex in Low-calcium blocking state | 分子名称: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | 著者 | Wang, Y, Jiang, Y. | 登録日 | 2020-06-24 | 公開日 | 2020-09-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.6 Å) | 主引用文献 | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter. Elife, 9, 2020
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4MZ4
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![BU of 4mz4 by Molmil](/molmil-images/mine/4mz4) | Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | 分子名称: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | 著者 | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | 登録日 | 2013-09-29 | 公開日 | 2013-12-11 | 最終更新日 | 2013-12-18 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Discovery of an irreversible HCV NS5B polymerase inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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7SQ6
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![BU of 7sq6 by Molmil](/molmil-images/mine/7sq6) | Cryo-EM structure of mouse agonist ML-SA1-bound TRPML1 channel at 2.32 Angstrom resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1, ... | 著者 | Gan, N, Han, Y, Jiang, Y. | 登録日 | 2021-11-04 | 公開日 | 2022-02-02 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (2.32 Å) | 主引用文献 | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ9
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![BU of 7sq9 by Molmil](/molmil-images/mine/7sq9) | Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom resolution | 分子名称: | (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30S,34aS)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate, (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Gan, N, Han, Y, Jiang, Y. | 登録日 | 2021-11-04 | 公開日 | 2022-02-02 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (2.11 Å) | 主引用文献 | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ8
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![BU of 7sq8 by Molmil](/molmil-images/mine/7sq8) | Cryo-EM structure of mouse apo TRPML1 channel at 2.598 Angstrom resolution | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, SODIUM ION | 著者 | Gan, N, Han, Y, Jiang, Y. | 登録日 | 2021-11-04 | 公開日 | 2022-02-02 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (2.598 Å) | 主引用文献 | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7SQ7
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![BU of 7sq7 by Molmil](/molmil-images/mine/7sq7) | Cryo-EM structure of mouse PI(3,5)P2-bound TRPML1 channel at 2.41 Angstrom resolution | 分子名称: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Mucolipin-1, ... | 著者 | Gan, N, Han, Y, Jiang, Y. | 登録日 | 2021-11-04 | 公開日 | 2022-02-02 | 最終更新日 | 2022-02-23 | 実験手法 | ELECTRON MICROSCOPY (2.41 Å) | 主引用文献 | Structural mechanism of allosteric activation of TRPML1 by PI(3,5)P 2 and rapamycin. Proc.Natl.Acad.Sci.USA, 119, 2022
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7BV1
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![BU of 7bv1 by Molmil](/molmil-images/mine/7bv1) | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | 分子名称: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | 登録日 | 2020-04-09 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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7BV2
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![BU of 7bv2 by Molmil](/molmil-images/mine/7bv2) | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | 分子名称: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | 著者 | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | 登録日 | 2020-04-09 | 公開日 | 2020-04-22 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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4Y15
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![BU of 4y15 by Molmil](/molmil-images/mine/4y15) | SdiA in complex with 3-oxo-C6-homoserine lactone | 分子名称: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide, SULFATE ION, Transcriptional regulator of ftsQAZ gene cluster | 著者 | Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. | 登録日 | 2015-02-06 | 公開日 | 2015-04-08 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.835 Å) | 主引用文献 | Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
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4Y13
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![BU of 4y13 by Molmil](/molmil-images/mine/4y13) | SdiA in complex with octanoyl-rac-glycerol | 分子名称: | (2S)-2,3-dihydroxypropyl octanoate, GLYCEROL, SULFATE ION, ... | 著者 | Nguyen, N.X, Nguyen, Y, Sperandio, V, Jiang, Y. | 登録日 | 2015-02-06 | 公開日 | 2015-04-08 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (3.096 Å) | 主引用文献 | Structural and Mechanistic Roles of Novel Chemical Ligands on the SdiA Quorum-Sensing Transcription Regulator. Mbio, 6, 2015
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6XJV
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![BU of 6xjv by Molmil](/molmil-images/mine/6xjv) | MCU holocomplex in High-calcium state | 分子名称: | Calcium uniporter protein, mitochondrial, Calcium uptake protein 1, ... | 著者 | Wang, Y, Jiang, Y. | 登録日 | 2020-06-24 | 公開日 | 2020-09-09 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | 主引用文献 | Structural insights into the Ca 2+ -dependent gating of the human mitochondrial calcium uniporter. Elife, 9, 2020
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7LJD
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![BU of 7ljd by Molmil](/molmil-images/mine/7ljd) | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | 分子名称: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | 著者 | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | 登録日 | 2021-01-28 | 公開日 | 2021-03-03 | 最終更新日 | 2021-05-12 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
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