5V4S
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![BU of 5v4s by Molmil](/molmil-images/mine/5v4s) | CryoEM Structure of a Prokaryotic Cyclic Nucleotide-Gated Ion Channel | 分子名称: | Transporter, cation channel family / cyclic nucleotide-binding domain multi-domain protein | 著者 | James, Z.M, Borst, A.J, Haitin, Y, Frenz, B, DiMaio, F, Zagotta, W.N, Veesler, D. | 登録日 | 2017-03-10 | 公開日 | 2017-04-12 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | CryoEM structure of a prokaryotic cyclic nucleotide-gated ion channel. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2VTL
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![BU of 2vtl by Molmil](/molmil-images/mine/2vtl) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | 分子名称: | CELL DIVISION PROTEIN KINASE 2, N-phenyl-1H-pyrazole-3-carboxamide | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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2VTT
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![BU of 2vtt by Molmil](/molmil-images/mine/2vtt) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | 分子名称: | 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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5UZB
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![BU of 5uzb by Molmil](/molmil-images/mine/5uzb) | Cryo-EM structure of the MAL TIR domain filament | 分子名称: | Toll/interleukin-1 receptor domain-containing adapter protein | 著者 | Ve, T, Vajjhala, P.R, Hedger, A, Croll, T, DiMaio, F, Horsefield, S, Yu, X, Lavrencic, P, Hassan, Z, Morgan, G.P, Mansell, A, Mobli, M, O'Carrol, A, Chauvin, B, Gambin, Y, Sierecki, E, Landsberg, M.J, Stacey, K.J, Egelman, E.H, Kobe, B. | 登録日 | 2017-02-25 | 公開日 | 2017-07-26 | 最終更新日 | 2020-01-15 | 実験手法 | ELECTRON MICROSCOPY (7 Å) | 主引用文献 | Structural basis of TIR-domain-assembly formation in MAL- and MyD88-dependent TLR4 signaling. Nat. Struct. Mol. Biol., 24, 2017
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9BNR
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![BU of 9bnr by Molmil](/molmil-images/mine/9bnr) | 4-(2-isothiocyanatoethyl)benzenesulfonamide complexed with Macrophage Migration Inhibitory Factor | 分子名称: | Macrophage migration inhibitory factor, N-[2-(4-sulfamoylphenyl)ethyl]methanethioamide, SULFATE ION | 著者 | Fellner, M, Rutledge, M.T, Putha, L, Kok, L.K, Gamble, A.B, Wilbanks, S.M, Vernall, A.J, Tyndall, J.D.A. | 登録日 | 2024-05-02 | 公開日 | 2024-07-24 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Covalent isothiocyanate inhibitors of macrophage migration inhibitory factor as potential colorectal cancer treatments. Chemmedchem, 2024
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6CPM
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![BU of 6cpm by Molmil](/molmil-images/mine/6cpm) | Structure of the USP15 deubiquitinase domain in complex with a third-generation inhibitory Ubv | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | 著者 | Singer, A.U, Teyra, J, Boehmelt, G, Lenter, M, Sicheri, F, Sidhu, S.S. | 登録日 | 2018-03-13 | 公開日 | 2019-01-23 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.011 Å) | 主引用文献 | Structural and Functional Characterization of Ubiquitin Variant Inhibitors of USP15. Structure, 27, 2019
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6CQX
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![BU of 6cqx by Molmil](/molmil-images/mine/6cqx) | Crystal Structure of Recombinant Human Acetylcholinesterase Inhibited by VX(+) | 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, Pegan, S.D, Height, J.J. | 登録日 | 2018-03-16 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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4W2O
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4W2P
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110D
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![BU of 110d by Molmil](/molmil-images/mine/110d) | ANTHRACYCLINE-DNA INTERACTIONS AT UNFAVOURABLE BASE BASE-PAIR TRIPLET-BINDING SITES: STRUCTURES OF D(CGGCCG)/DAUNOMYCIN AND D(TGGCCA)/ADRIAMYCIN COMPL | 分子名称: | DAUNOMYCIN, DNA (5'-D(*CP*GP*GP*CP*CP*G)-3') | 著者 | Leonard, G.A, Hambley, T.W, McAuley-Hecht, K, Brown, T, Hunter, W.N. | 登録日 | 1993-01-21 | 公開日 | 1993-04-15 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Anthracycline-DNA interactions at unfavourable base-pair triplet-binding sites: structures of d(CGGCCG)/daunomycin and d(TGGCCA)/adriamycin complexes. Acta Crystallogr.,Sect.D, 49, 1993
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4UV2
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![BU of 4uv2 by Molmil](/molmil-images/mine/4uv2) | Structure of the curli transport lipoprotein CsgG in a non-lipidated, pre-pore conformation | 分子名称: | CURLI PRODUCTION TRANSPORT COMPONENT CSGG | 著者 | Goyal, P, Krasteva, P.V, Gerven, N.V, Gubellini, F, Broeck, I.V.D, Troupiotis-Tsailaki, A, Jonckheere, W, Pehau-Arnaudet, G, Pinkner, J.S, Chapman, M.R, Hultgren, S.J, Howorka, S, Fronzes, R, Remaut, H. | 登録日 | 2014-08-04 | 公開日 | 2014-09-24 | 最終更新日 | 2014-12-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural and Mechanistic Insights Into the Bacterial Amyloid Secretion Channel Csgg. Nature, 516, 2014
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6CQW
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![BU of 6cqw by Molmil](/molmil-images/mine/6cqw) | Crystal Structure of Recombinant Human Acetylcholinesterase in Complex with VX(-) and HI-6 | 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, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ... | 著者 | Bester, S.M, Guelta, M.A, Pegan, S.D, Height, J.J. | 登録日 | 2018-03-16 | 公開日 | 2018-12-05 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.278 Å) | 主引用文献 | Structural Insights of Stereospecific Inhibition of Human Acetylcholinesterase by VX and Subsequent Reactivation by HI-6. Chem. Res. Toxicol., 31, 2018
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5VBX
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![BU of 5vbx by Molmil](/molmil-images/mine/5vbx) | Crystal structure of holo-[acyl-carrier-protein] synthase (AcpS) from Escherichia coli | 分子名称: | 1,2-ETHANEDIOL, Holo-[acyl-carrier-protein] synthase, SODIUM ION | 著者 | Marcella, A.M, Barb, A.W. | 登録日 | 2017-03-30 | 公開日 | 2017-11-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Structure, High Affinity, and Negative Cooperativity of the Escherichia coli Holo-(Acyl Carrier Protein):Holo-(Acyl Carrier Protein) Synthase Complex. J. Mol. Biol., 429, 2017
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10MH
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![BU of 10mh by Molmil](/molmil-images/mine/10mh) | TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH ADOHCY AND HEMIMETHYLATED DNA CONTAINING 5,6-DIHYDRO-5-AZACYTOSINE AT THE TARGET | 分子名称: | DNA (5'-D(P*CP*CP*AP*TP*GP*(5CM)P*GP*CP*TP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*AP*GP*5NCP*GP*CP*AP*TP*GP*G)-3'), PROTEIN (CYTOSINE-SPECIFIC METHYLTRANSFERASE HHAI), ... | 著者 | Sheikhnejad, G, Brank, A, Christman, J.K, Goddard, A, Alvarez, E, Ford Junior, H, Marquez, V.E, Marasco, C.J, Sufrin, J.R, O'Gara, M, Cheng, X. | 登録日 | 1998-08-10 | 公開日 | 1999-02-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Mechanism of inhibition of DNA (cytosine C5)-methyltransferases by oligodeoxyribonucleotides containing 5,6-dihydro-5-azacytosine. J.Mol.Biol., 285, 1999
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5UVK
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![BU of 5uvk by Molmil](/molmil-images/mine/5uvk) | Serial Millisecond Crystallography of Membrane and Soluble Protein Micro-crystals using Synchrotron Radiation | 分子名称: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | 著者 | Martin-Garcia, J.M, Conrad, C.E, Nelson, G, Stander, N, Zatsepin, N.A, Zook, J, Zhu, L, Geiger, J, Chun, E, Kissick, D, Hilgart, M.C, Ogata, C, Ishchenko, A, Nagaratnam, N, Roy-Chowdhury, S, Coe, J, Subramanian, G, Schaffer, A, James, D, Ketawala, G, Venugopalan, N, Xu, S, Corcoran, S, Ferguson, D, Weierstall, U, Spence, J.C.H, Cherezov, V, Fromme, P, Fischetti, R.F, Liu, W. | 登録日 | 2017-02-20 | 公開日 | 2017-05-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation. Iucrj, 4, 2017
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6CED
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![BU of 6ced by Molmil](/molmil-images/mine/6ced) | Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | 分子名称: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | 登録日 | 2018-02-11 | 公開日 | 2018-02-28 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors. J. Med. Chem., 61, 2018
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6CL0
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5D2G
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6CLC
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![BU of 6clc by Molmil](/molmil-images/mine/6clc) | 1.01 A MicroED structure of GSNQNNF at 0.27 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CLH
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![BU of 6clh by Molmil](/molmil-images/mine/6clh) | 1.37 A MicroED structure of GSNQNNF at 2.9 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.37 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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4W9M
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![BU of 4w9m by Molmil](/molmil-images/mine/4w9m) | AMPPNP bound Rad50 in complex with dsDNA | 分子名称: | DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*CP*AP*CP*CP*GP*AP*CP*C)-3'), DNA (5'-D(*GP*GP*TP*CP*GP*GP*TP*GP*AP*CP*CP*GP*AP*CP*C)-3'), Exonuclease, ... | 著者 | Rojowska, A, Lammens, K. | 登録日 | 2014-08-27 | 公開日 | 2015-01-14 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structure of the Rad50 DNA double-strand break repair protein in complex with DNA. Embo J., 33, 2014
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6CLP
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![BU of 6clp by Molmil](/molmil-images/mine/6clp) | 1.16 A MicroED structure of GSNQNNF at 2.5 e- / A^2 | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | 登録日 | 2018-03-02 | 公開日 | 2018-05-16 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.16 Å) | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM. Structure, 26, 2018
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6CMH
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![BU of 6cmh by Molmil](/molmil-images/mine/6cmh) | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | 分子名称: | PROTEIN (ENDOTHELIN-1) | 著者 | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | 登録日 | 1998-09-03 | 公開日 | 1999-09-29 | 最終更新日 | 2023-12-27 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
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2VTH
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![BU of 2vth by Molmil](/molmil-images/mine/2vth) | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design | 分子名称: | 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | 登録日 | 2008-05-15 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008
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5UXZ
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