5AIU
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![BU of 5aiu by Molmil](/molmil-images/mine/5aiu) | A complex of RNF4-RING domain, Ubc13-Ub (isopeptide crosslink) | 分子名称: | 1,2-ETHANEDIOL, E3 UBIQUITIN-PROTEIN LIGASE RNF4, POLYUBIQUITIN-C, ... | 著者 | Branigan, E, Naismith, J.H. | 登録日 | 2015-02-17 | 公開日 | 2015-07-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Structural Basis for the Ring Catalyzed Synthesis of K63 Linked Ubiquitin Chains Nat.Struct.Mol.Biol., 22, 2015
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5A0B
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![BU of 5a0b by Molmil](/molmil-images/mine/5a0b) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | 分子名称: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | 登録日 | 2015-04-17 | 公開日 | 2015-08-19 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem, 10, 2015
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5A2A
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![BU of 5a2a by Molmil](/molmil-images/mine/5a2a) | Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass | 分子名称: | ACETATE ION, APO FORM OF ANOXYBACILLUS ALPHA-AMYLASES, CALCIUM ION | 著者 | Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M. | 登録日 | 2015-05-16 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass. Sci.Rep., 6, 2016
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5AG6
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![BU of 5ag6 by Molmil](/molmil-images/mine/5ag6) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A THIAZOLIDINONE LIGAND | 分子名称: | (2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-4-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | 著者 | Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H. | 登録日 | 2015-01-29 | 公開日 | 2015-10-07 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode. Chemmedchem, 10, 2015
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1HLZ
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![BU of 1hlz by Molmil](/molmil-images/mine/1hlz) | CRYSTAL STRUCTURE OF THE ORPHAN NUCLEAR RECEPTOR REV-ERB(ALPHA) DNA-BINDING DOMAIN BOUND TO ITS COGNATE RESPONSE ELEMENT | 分子名称: | 5'-D(*CP*AP*AP*CP*TP*AP*GP*GP*TP*CP*AP*CP*TP*AP*GP*GP*TP*CP*AP*G)-3', 5'-D(*CP*TP*GP*AP*CP*CP*TP*AP*GP*TP*GP*AP*CP*CP*TP*AP*GP*TP*TP*G)-3', ORPHAN NUCLEAR RECEPTOR NR1D1, ... | 著者 | Sierk, M.L, Zhao, Q, Rastinejad, F. | 登録日 | 2000-12-04 | 公開日 | 2001-11-16 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | DNA Deformability as a Recognition Feature in the RevErb Response Element Biochemistry, 40, 2001
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1H0M
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![BU of 1h0m by Molmil](/molmil-images/mine/1h0m) | Three-dimensional structure of the quorum sensing protein TraR bound to its autoinducer and to its target DNA | 分子名称: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP *CP*TP*GP*CP*AP*CP*AP*T)-3', Transcriptional activator protein TraR | 著者 | Vannini, A, Volpari, C, Gargioli, C, Muraglia, E, Cortese, R, De Francesco, R, Neddermann, P, Di Marco, S. | 登録日 | 2002-06-25 | 公開日 | 2002-08-29 | 最終更新日 | 2020-12-16 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Crystal Structure of the Quorum Sensing Protein Trar Bound to its Autoinducer and Target DNA Embo J., 21, 2002
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4EG3
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![BU of 4eg3 by Molmil](/molmil-images/mine/4eg3) | Trypanosoma brucei methionyl-tRNA synthetase in complex with product methionyl-adenylate | 分子名称: | GLYCEROL, Methionyl-tRNA synthetase, putative, ... | 著者 | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2012-03-30 | 公開日 | 2012-09-12 | 最終更新日 | 2017-11-15 | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | 主引用文献 | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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5BZH
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4EG5
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![BU of 4eg5 by Molmil](/molmil-images/mine/4eg5) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor Chem 1312 | 分子名称: | 2-({3-[(3,5-dichlorobenzyl)amino]propyl}amino)quinolin-4(1H)-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Koh, C.Y, Kim, J.E, Shibata, S, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | 登録日 | 2012-03-30 | 公開日 | 2012-09-12 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Distinct States of Methionyl-tRNA Synthetase Indicate Inhibitor Binding by Conformational Selection. Structure, 20, 2012
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5DP9
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![BU of 5dp9 by Molmil](/molmil-images/mine/5dp9) | Crystal Structure of EV71 3C Proteinase in complex with compound 9 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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4CC4
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![BU of 4cc4 by Molmil](/molmil-images/mine/4cc4) | Complex of InlC of Listeria monocytogenes and human Tuba C-terminal SH3 domain | 分子名称: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CHLORIDE ION, DYNAMIN-BINDING PROTEIN, ... | 著者 | Polle, L, Rigano, L, Julian, R, Ireton, K, Schubert, W.-D. | 登録日 | 2013-10-17 | 公開日 | 2013-10-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Details of Human Tuba Recruitment by Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading. Structure, 22, 2014
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5CTX
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![BU of 5ctx by Molmil](/molmil-images/mine/5ctx) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ... | 著者 | Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D. | 登録日 | 2015-07-24 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB. Bioorg.Med.Chem.Lett., 26, 2016
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5D3J
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![BU of 5d3j by Molmil](/molmil-images/mine/5d3j) | First bromodomain of BRD4 bound to inhibitor XD33 | 分子名称: | 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3R
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![BU of 5d3r by Molmil](/molmil-images/mine/5d3r) | First bromodomain of BRD4 bound to inhibitor XD42 | 分子名称: | 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | 著者 | Wohlwend, D, Huegle, M. | 登録日 | 2015-08-06 | 公開日 | 2016-01-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D6P
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![BU of 5d6p by Molmil](/molmil-images/mine/5d6p) | Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a ligand | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-ethyl-3-[4-(hydroxymethyl)-5-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]urea, DNA gyrase subunit B, ... | 著者 | Zhang, J, Yang, Q, Cross, J.B, Romero, J.A.C, Ryan, M.D, Lippa, B, Dolle, R.E, Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C. | 登録日 | 2015-08-12 | 公開日 | 2015-11-25 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Discovery of Azaindole Ureas as a Novel Class of Bacterial Gyrase B Inhibitors. J.Med.Chem., 58, 2015
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5DP8
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![BU of 5dp8 by Molmil](/molmil-images/mine/5dp8) | Crystal Structure of EV71 3C Proteinase in complex with compound 8 | 分子名称: | 3C proteinase, ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | 著者 | Wu, C, Zhang, L, Li, P, Cai, Q, Peng, X, Li, N, Cai, Y, Li, J, Lin, T. | 登録日 | 2015-09-12 | 公開日 | 2016-03-30 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Fragment-wise design of inhibitors to 3C proteinase from enterovirus 71 Biochim.Biophys.Acta, 1860, 2016
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4IDL
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![BU of 4idl by Molmil](/molmil-images/mine/4idl) | |
4F2K
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![BU of 4f2k by Molmil](/molmil-images/mine/4f2k) | Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate | 分子名称: | ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ... | 著者 | Tyndall, J.D.A, Bernhagen, J, Hampton, M.B, Wilbanks, S.M, Rutledge, M.T. | 登録日 | 2012-05-08 | 公開日 | 2012-06-06 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Macrophage migration inhibitory factor covalently complexed with phenethyl isothiocyanate Acta Crystallogr.,Sect.F, 68, 2012
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4I90
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![BU of 4i90 by Molmil](/molmil-images/mine/4i90) | Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from S. aureus bound to choline | 分子名称: | 1-phosphatidylinositol phosphodiesterase, ACETATE ION, CHLORIDE ION, ... | 著者 | Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F. | 登録日 | 2012-12-04 | 公開日 | 2013-04-10 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The cation-pi box is a specific phosphatidylcholine membrane targeting motif. J.Biol.Chem., 288, 2013
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5E63
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![BU of 5e63 by Molmil](/molmil-images/mine/5e63) | K262A mutant of I-SmaMI | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-METHOXYETHANOL, DNA (5'-D(P*CP*AP*GP*GP*TP*GP*TP*AP*CP*G)-3'), ... | 著者 | Shen, B, Stoddard, B. | 登録日 | 2015-10-09 | 公開日 | 2016-01-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
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5E5P
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![BU of 5e5p by Molmil](/molmil-images/mine/5e5p) | Wild type I-SmaMI in the space group of C121 | 分子名称: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, I-SmaMI LAGLIDADG meganuclease | 著者 | Shen, B.W. | 登録日 | 2015-10-09 | 公開日 | 2016-01-13 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | The Structural Basis of Asymmetry in DNA Binding and Cleavage as Exhibited by the I-SmaMI LAGLIDADG Meganuclease. J.Mol.Biol., 428, 2016
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5C1E
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![BU of 5c1e by Molmil](/molmil-images/mine/5c1e) | Crystal Structure of the Pectin Methylesterase from Aspergillus niger in Penultimately Deglycosylated Form (N-acetylglucosamine Stub at Asn84) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | 著者 | Jameson, G.B, Williams, M.A.K, Loo, T.S, Kent, L.M, Melton, L.D, Mercadante, D. | 登録日 | 2015-06-13 | 公開日 | 2015-07-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structure and Properties of a Non-processive, Salt-requiring, and Acidophilic Pectin Methylesterase from Aspergillus niger Provide Insights into the Key Determinants of Processivity Control. J.Biol.Chem., 291, 2016
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4IZJ
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4IS1
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![BU of 4is1 by Molmil](/molmil-images/mine/4is1) | Crystal structure of ZNF217 bound to DNA | 分子名称: | 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ... | 著者 | Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P. | 登録日 | 2013-01-16 | 公開日 | 2013-02-27 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217. J.Biol.Chem., 288, 2013
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4IWW
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![BU of 4iww by Molmil](/molmil-images/mine/4iww) | Computational Design of an Unnatural Amino Acid Metalloprotein with Atomic Level Accuracy | 分子名称: | COBALT (II) ION, SULFATE ION, Unnatural Amino Acid Mediated Metalloprotein | 著者 | Mills, J, Bolduc, J, Khare, S, Stoddard, B, Baker, D. | 登録日 | 2013-01-24 | 公開日 | 2013-08-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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