3Q0U
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![BU of 3q0u by Molmil](/molmil-images/mine/3q0u) | EthR from Mycobacterium tuberculosis in complex with compound BDM31379 | 分子名称: | 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone, HTH-type transcriptional regulator EthR | 著者 | Flipo, M, Desroses, M, Dirie, B, Carette, X, Lens, Z, Rucktooa, P, Leroux, F, Piveteau, C, Demirkaya, F, Locht, C, Villeret, V, Christophe, T, Jeon, H.K, Brodin, P, Deprez, B, Baulard, A, Willand, N. | 登録日 | 2010-12-16 | 公開日 | 2012-01-11 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Design, synthesis and optimization of new EthR inhibitors. A new alternative approach to fight tuberculosis by boosting ethionamide To be Published
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4DW6
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![BU of 4dw6 by Molmil](/molmil-images/mine/4dw6) | Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis. | 分子名称: | AMMONIUM ION, GLYCEROL, HTH-type transcriptional regulator EthR, ... | 著者 | Flipo, M, Willand, N, Lecat-Guillet, N, Hounsou, C, Desroses, M, Leroux, F, Lens, Z, Villeret, V, Wohlkonig, A, Wintjens, R, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, Baulard, A.R, Deprez, B. | 登録日 | 2012-02-24 | 公開日 | 2013-03-27 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. J.Med.Chem., 55, 2012
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5WOB
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![BU of 5wob by Molmil](/molmil-images/mine/5wob) | Crystal Structure Analysis of Fab1-Bound Human Insulin Degrading Enzyme (IDE) in Complex with Insulin | 分子名称: | IDE-bound Fab heavy chain, IDE-bound Fab light chain, Insulin, ... | 著者 | McCord, L.A, Liang, W.G, Farcasanu, M, Wang, A.G, Koide, S, Tang, W.J. | 登録日 | 2017-08-01 | 公開日 | 2018-04-18 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.95 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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8A76
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![BU of 8a76 by Molmil](/molmil-images/mine/8a76) | Metallo-beta-lactamase NDM-1 in complex with 1,2,4-Triazole-3-thione compound 26 | 分子名称: | (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Vascon, F, Legru, A, Hernandez, J.F, Cendron, L. | 登録日 | 2022-06-20 | 公開日 | 2022-12-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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8A4M
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![BU of 8a4m by Molmil](/molmil-images/mine/8a4m) | Crystal structure of the VIM-2 acquired metallo-beta-Lactamase in complex with compound 8 (JMV-7061) | 分子名称: | (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | 著者 | Tassone, G, Benvenuti, M, Verdirosa, F, Corsica, G, Sannio, F, Docquier, J.D, Pozzi, C, Mangani, S. | 登録日 | 2022-06-13 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Optimization of 1,2,4-Triazole-3-thiones toward Broad-Spectrum Metallo-beta-lactamase Inhibitors Showing Potent Synergistic Activity on VIM- and NDM-1-Producing Clinical Isolates. J.Med.Chem., 65, 2022
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7SH0
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![BU of 7sh0 by Molmil](/molmil-images/mine/7sh0) | CRYSTAL STRUCTURE OF ENDOPLASMIC RETICULUM AMINOPEPTIDASE 2 (ERAP2) COMPLEX WITH A HIGHLY SELECTIVE AND POTENT SMALL MOLECULE | 分子名称: | (2S)-N-hydroxy-3-(4-methoxyphenyl)-2-[4-({[5-(pyridin-2-yl)thiophene-2-sulfonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Li, L, Bouvier, M. | 登録日 | 2021-10-07 | 公開日 | 2022-07-20 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Discovery of the First Selective Nanomolar Inhibitors of ERAP2 by Kinetic Target-Guided Synthesis. Angew.Chem.Int.Ed.Engl., 61, 2022
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7NTS
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![BU of 7nts by Molmil](/molmil-images/mine/7nts) | Crystal structure of the SARS-CoV-2 Main Protease with oxidized C145 | 分子名称: | DIMETHYL SULFOXIDE, FORMIC ACID, GLYCEROL, ... | 著者 | Dupre, E, Villeret, V, Hanoulle, X. | 登録日 | 2021-03-10 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.477 Å) | 主引用文献 | NMR Spectroscopy of the Main Protease of SARS-CoV-2 and Fragment-Based Screening Identify Three Protein Hotspots and an Antiviral Fragment. Angew.Chem.Int.Ed.Engl., 60, 2021
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6BF8
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![BU of 6bf8 by Molmil](/molmil-images/mine/6bf8) | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | 分子名称: | Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-26 | 公開日 | 2018-04-04 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6B3Q
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![BU of 6b3q by Molmil](/molmil-images/mine/6b3q) | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | 分子名称: | Insulin, Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-09-22 | 公開日 | 2017-11-22 | 最終更新日 | 2021-04-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6BF6
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![BU of 6bf6 by Molmil](/molmil-images/mine/6bf6) | Cryo-EM structure of human insulin degrading enzyme | 分子名称: | Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-26 | 公開日 | 2018-02-07 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6B7Z
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![BU of 6b7z by Molmil](/molmil-images/mine/6b7z) | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11 heavy chain and FAB H11 light chain | 分子名称: | FAB H11 heavy chain, FAB H11 light chain, Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-05 | 公開日 | 2018-01-10 | 最終更新日 | 2021-04-28 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6BF9
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![BU of 6bf9 by Molmil](/molmil-images/mine/6bf9) | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain | 分子名称: | Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-26 | 公開日 | 2018-02-07 | 最終更新日 | 2021-04-28 | 実験手法 | ELECTRON MICROSCOPY (7.2 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6BF7
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![BU of 6bf7 by Molmil](/molmil-images/mine/6bf7) | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain | 分子名称: | Fab H11-E heavy chain, Fab H11-E light chain, Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-26 | 公開日 | 2018-02-07 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6B70
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![BU of 6b70 by Molmil](/molmil-images/mine/6b70) | Cryo-EM structure of human insulin degrading enzyme in complex with FAB H11-E heavy chain, FAB H11-E light chain and insulin | 分子名称: | FAB H11-E heavy chain, FAB H11-E light chain, Insulin, ... | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-03 | 公開日 | 2017-12-27 | 最終更新日 | 2021-04-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6B7Y
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![BU of 6b7y by Molmil](/molmil-images/mine/6b7y) | Cryo-EM structure of human insulin degrading enzyme | 分子名称: | Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-05 | 公開日 | 2017-11-08 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (6.5 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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6BFC
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![BU of 6bfc by Molmil](/molmil-images/mine/6bfc) | Cryo-EM structure of human insulin degrading enzyme in complex with insulin | 分子名称: | Insulin, Insulin-degrading enzyme | 著者 | Liang, W.G, Zhang, Z, Bailey, L.J, Kossiakoff, A.A, Tan, Y.Z, Wei, H, Carragher, B, Potter, S.C, Tang, W.J. | 登録日 | 2017-10-26 | 公開日 | 2017-12-27 | 最終更新日 | 2021-04-28 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Ensemble cryoEM elucidates the mechanism of insulin capture and degradation by human insulin degrading enzyme. Elife, 7, 2018
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3QZ2
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![BU of 3qz2 by Molmil](/molmil-images/mine/3qz2) | |
5N1I
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![BU of 5n1i by Molmil](/molmil-images/mine/5n1i) | |
8P1I
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![BU of 8p1i by Molmil](/molmil-images/mine/8p1i) | Single particle cryo-EM co-structure of Klebsiella pneumoniae AcrB with the BDM91288 efflux pump inhibitor at 2.97 Angstrom resolution | 分子名称: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), 3-chloranyl-2,6-di(piperazin-4-ium-1-yl)quinoline, Efflux pump membrane transporter, ... | 著者 | Boernsen, C, Mueller, R.T, Pos, K.M, Frangakis, A.S. | 登録日 | 2023-05-12 | 公開日 | 2024-01-17 | 最終更新日 | 2024-01-31 | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | 主引用文献 | Pyridylpiperazine efflux pump inhibitor boosts in vivo antibiotic efficacy against K. pneumoniae. Embo Mol Med, 16, 2024
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5N1C
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3SDG
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![BU of 3sdg by Molmil](/molmil-images/mine/3sdg) | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | 分子名称: | 4,4,4-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one, HTH-type transcriptional regulator EthR | 著者 | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | 登録日 | 2011-06-09 | 公開日 | 2011-12-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
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3SFI
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![BU of 3sfi by Molmil](/molmil-images/mine/3sfi) | Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. | 分子名称: | 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one, Transcriptional regulatory repressor protein (TETR-family) | 著者 | Flipo, M, Desroses, M, Lecat-Guillet, N, Villemagne, B, Blondiaux, N, Leroux, F, Piveteau, C, Mathys, V, Flament, M.P, Siepmann, J, Villeret, V, Wohlkonig, A, Wintjens, R, Soror, S.H, Christophe, T, Jeon, H.K, Locht, C, Brodin, P, D prez, B, Baulard, A.R, Willand, N. | 登録日 | 2011-06-13 | 公開日 | 2011-12-07 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55, 2012
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5ICJ
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![BU of 5icj by Molmil](/molmil-images/mine/5icj) | Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420 | 分子名称: | 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein | 著者 | Wohlkonig, A, Remaut, H, Tanina, A, Meyer, F, Willand, N, Baulard, A.R, Wintjens, R. | 登録日 | 2016-02-23 | 公開日 | 2017-04-26 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420. Science, 355, 2017
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3TP3
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![BU of 3tp3 by Molmil](/molmil-images/mine/3tp3) | Structure of HTH-type transcriptional regulator EthR, G106W mutant | 分子名称: | HTH-type transcriptional regulator EthR | 著者 | Carette, X. | 登録日 | 2011-09-07 | 公開日 | 2011-12-21 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2011
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7NTQ
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![BU of 7ntq by Molmil](/molmil-images/mine/7ntq) | Crystal structure of the SARS-CoV-2 Main Protease complexed with N-(pyridin-3-ylmethyl)thioformamide | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Dupre, E, Villeret, V, Hanoulle, X. | 登録日 | 2021-03-10 | 公開日 | 2022-03-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.495 Å) | 主引用文献 | Novel dithiocarbamates selectively inhibit 3CL protease of SARS-CoV-2 and other coronaviruses. Eur.J.Med.Chem., 250, 2023
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