7Z46
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![BU of 7z46 by Molmil](/molmil-images/mine/7z46) | Top part (C5) of bacteriophage SU10 capsid | 分子名称: | Major head protein | 著者 | Siborova, M, Fuzik, T, Prochazkova, M, Novacek, J, Plevka, P. | 登録日 | 2022-03-03 | 公開日 | 2022-08-24 | 最終更新日 | 2022-10-12 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | Tail proteins of phage SU10 reorganize into the nozzle for genome delivery. Nat Commun, 13, 2022
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4WNN
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![BU of 4wnn by Molmil](/molmil-images/mine/4wnn) | SPT16-H2A-H2B FACT HISTONE Complex | 分子名称: | Histone H2A.1, Histone H2B.1, PHOSPHATE ION, ... | 著者 | Kemble, D.J, Hill, C.P, Whitby, F.G, Formosa, T, McCullough, L.L. | 登録日 | 2014-10-13 | 公開日 | 2015-10-21 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | FACT Disrupts Nucleosome Structure by Binding H2A-H2B with Conserved Peptide Motifs. Mol.Cell, 60, 2015
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6A2L
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![BU of 6a2l by Molmil](/molmil-images/mine/6a2l) | Crystal structure of quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP | 分子名称: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | 著者 | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | 登録日 | 2018-06-12 | 公開日 | 2019-04-24 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance. ACS Med Chem Lett, 9, 2018
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5HTZ
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![BU of 5htz by Molmil](/molmil-images/mine/5htz) | BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide | 分子名称: | (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 | 著者 | Orth, P. | 登録日 | 2016-01-27 | 公開日 | 2016-11-09 | 最終更新日 | 2017-01-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016
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2RCS
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![BU of 2rcs by Molmil](/molmil-images/mine/2rcs) | IMMUNOGLOBULIN 48G7 GERMLINE FAB-AFFINITY MATURATION OF AN ESTEROLYTIC ANTIBODY | 分子名称: | IMMUNOGLOBULIN 48G7 GERMLINE FAB | 著者 | Wedemayer, G.J, Wang, L.H, Patten, P.A, Schultz, P.G, Stevens, R.C. | 登録日 | 1997-05-14 | 公開日 | 1997-11-12 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural insights into the evolution of an antibody combining site. Science, 276, 1997
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5XVV
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![BU of 5xvv by Molmil](/molmil-images/mine/5xvv) | Crystal Structure of Forward Inhibited Aspergillus niger Glutamate Dehydrogenase With Both Apo- and Alpha Ketoglutarate Bound Subunits | 分子名称: | 2-OXOGLUTARIC ACID, BETA-MERCAPTOETHANOL, GLYCEROL, ... | 著者 | Prakash, P, Punekar, N.S, Bhaumik, P. | 登録日 | 2017-06-28 | 公開日 | 2018-03-21 | 最終更新日 | 2018-05-09 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Structural basis for the catalytic mechanism and alpha-ketoglutarate cooperativity of glutamate dehydrogenase. J. Biol. Chem., 293, 2018
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5L4I
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![BU of 5l4i by Molmil](/molmil-images/mine/5l4i) | Crystal Structure of Human Transthyretin in Complex with Clonixin | 分子名称: | 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin | 著者 | Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E. | 登録日 | 2016-05-25 | 公開日 | 2016-10-05 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin. Environ. Sci. Technol., 50, 2016
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1AIE
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![BU of 1aie by Molmil](/molmil-images/mine/1aie) | |
6OMY
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![BU of 6omy by Molmil](/molmil-images/mine/6omy) | Protein Tyrosine Phosphatase 1B (1-301), P180A mutant, apo state | 分子名称: | GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Cui, D.S, Lipchock, J.M, Loria, J.P. | 登録日 | 2019-04-19 | 公開日 | 2019-08-07 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Uncovering the Molecular Interactions in the Catalytic Loop That Modulate the Conformational Dynamics in Protein Tyrosine Phosphatase 1B. J.Am.Chem.Soc., 141, 2019
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6TXO
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![BU of 6txo by Molmil](/molmil-images/mine/6txo) | Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany in complex with avian receptor analogue 3'-SLN | 分子名称: | 1,2-ETHANEDIOL, 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 | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | 登録日 | 2020-01-14 | 公開日 | 2020-10-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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4PY6
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![BU of 4py6 by Molmil](/molmil-images/mine/4py6) | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum | 分子名称: | 1,2-ETHANEDIOL, 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Bromodomain protein, ... | 著者 | Fonseca, M, Tallant, C, Hutchinson, A, Savitsky, P, Krojer, T, Filippakopoulos, P, Loppnau, P, Brennan, P.E, von Delft, F, Dong, A, Josling, G.A, Duffy, M.F, Arrowsmith, C.H, Bountra, C, Hui, R, Knapp, S, Wernimont, A.K, Structural Genomics Consortium (SGC) | 登録日 | 2014-03-26 | 公開日 | 2014-04-30 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal Structure of bromodomain of PFA0510w from Plasmodium Falciparum To be Published
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5R7Z
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![BU of 5r7z by Molmil](/molmil-images/mine/5r7z) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1220452176 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide | 著者 | Fearon, D, Powell, A.J, Douangamath, A, Owen, C.D, Wild, C, Krojer, T, Lukacik, P, Strain-Damerell, C.M, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-03 | 公開日 | 2020-03-11 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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7ZC1
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![BU of 7zc1 by Molmil](/molmil-images/mine/7zc1) | Subtomogram averaging of Rubisco from Cyanobium carboxysome | 分子名称: | Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase, small subunit | 著者 | Ni, T, Zhu, Y, Seaton-Burn, W, Zhang, P. | 登録日 | 2022-03-25 | 公開日 | 2022-07-06 | 最終更新日 | 2023-01-18 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Structure and assembly of cargo Rubisco in two native alpha-carboxysomes. Nat Commun, 13, 2022
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5REF
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![BU of 5ref by Molmil](/molmil-images/mine/5ref) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z24758179 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl 3-(methylsulfonylamino)benzoate | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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8H0Z
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![BU of 8h0z by Molmil](/molmil-images/mine/8h0z) | Structure of SARS-CoV-1 Spike Protein with Engineered x1 Disulfide (S370C and D967C), Locked-122 Conformation | 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, BILIVERDINE IX ALPHA, ... | 著者 | Zhang, X, Li, Z, Liu, Y, Wang, J, Fu, L, Wang, P, He, J, Xiong, X. | 登録日 | 2022-09-30 | 公開日 | 2022-11-09 | 最終更新日 | 2023-07-19 | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | 主引用文献 | Disulfide stabilization reveals conserved dynamic features between SARS-CoV-1 and SARS-CoV-2 spikes. Life Sci Alliance, 6, 2023
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5KT9
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![BU of 5kt9 by Molmil](/molmil-images/mine/5kt9) | |
5RET
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![BU of 5ret by Molmil](/molmil-images/mine/5ret) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102269 | 分子名称: | 1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFC
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![BU of 5rfc by Molmil](/molmil-images/mine/5rfc) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z979145504 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RFO
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![BU of 5rfo by Molmil](/molmil-images/mine/5rfo) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102972 | 分子名称: | 1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-15 | 公開日 | 2020-03-25 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RG3
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![BU of 5rg3 by Molmil](/molmil-images/mine/5rg3) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412 | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-03-18 | 公開日 | 2020-04-15 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5RHB
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![BU of 5rhb by Molmil](/molmil-images/mine/5rhb) | PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib030 (Mpro-x2097) | 分子名称: | (E)-1-(pyrimidin-2-yl)methanimine, 3C-like proteinase, DIMETHYL SULFOXIDE | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, Keeley, A, Keseru, G.M, London, N, Walsh, M.A, von Delft, F. | 登録日 | 2020-05-16 | 公開日 | 2020-06-10 | 最終更新日 | 2021-02-24 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
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5HO7
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![BU of 5ho7 by Molmil](/molmil-images/mine/5ho7) | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, 5-amino-3-(methylsulfanyl)-1H-pyrazole-1,4-dicarboxamide, SULFATE ION | 著者 | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | 登録日 | 2016-01-19 | 公開日 | 2016-06-08 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Discovery of novel 7-azaindoles as PDK1 inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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6I3U
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7A4X
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![BU of 7a4x by Molmil](/molmil-images/mine/7a4x) | tRNA-guanine transglycosylase C158S/C281S/Y330C/H333A mutant in complex with dimethyl sulfoxide | 分子名称: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Nguyen, D, Nguyen, T.X.P, Heine, A, Klebe, G. | 登録日 | 2020-08-20 | 公開日 | 2021-06-16 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Targeting a Cryptic Pocket in a Protein-Protein Contact by Disulfide-Induced Rupture of a Homodimeric Interface. Acs Chem.Biol., 16, 2021
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3I5K
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![BU of 3i5k by Molmil](/molmil-images/mine/3i5k) | Crystal structure of the NS5B polymerase from Hepatitis C Virus (HCV) strain JFH1 | 分子名称: | PHOSPHATE ION, RNA-directed RNA polymerase | 著者 | Simister, P.C, Schmitt, M, Lohmann, V, Bressanelli, S. | 登録日 | 2009-07-05 | 公開日 | 2009-09-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and functional analysis of hepatitis C virus strain JFH1 polymerase J.Virol., 83, 2009
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