6SM5
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![BU of 6sm5 by Molmil](/molmil-images/mine/6sm5) | MbC/SHP1-C-SH2 complex | Descriptor: | MbC (monobody targeting SHP1-C-SH2), Tyrosine-protein phosphatase non-receptor type 6 | Authors: | Mann, G, Hantschel, O. | Deposit date: | 2019-08-21 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | MbC/SHP1-C-SH2 complex To Be Published
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6SGW
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![BU of 6sgw by Molmil](/molmil-images/mine/6sgw) | Structure of the ESX-3 core complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S. | Deposit date: | 2019-08-05 | Release date: | 2019-10-09 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Architecture of the mycobacterial type VII secretion system. Nature, 576, 2019
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1WNT
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![BU of 1wnt by Molmil](/molmil-images/mine/1wnt) | Structure of the tetrameric form of Human L-Xylulose Reductase | Descriptor: | L-xylulose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | El-Kabbani, O, Carbone, V, Darmanin, C, Ishikura, S, Hara, A. | Deposit date: | 2004-08-09 | Release date: | 2005-07-19 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the tetrameric form of human L-Xylulose reductase: Probing the inhibitor-binding site with molecular modeling and site-directed mutagenesis Proteins, 60, 2005
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6SO0
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![BU of 6so0 by Molmil](/molmil-images/mine/6so0) | NMR solution structure of the family 14 carbohydrate binding module (CBM14) from human chitotriosidase | Descriptor: | Chitotriosidase-1 | Authors: | Madland, E, Crasson, O, Vandevenne, M, Sorlie, M, Aachmann, F.L. | Deposit date: | 2019-08-28 | Release date: | 2020-01-15 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | NMR and Fluorescence Spectroscopies Reveal the Preorganized Binding Site in Family 14 Carbohydrate-Binding Module from Human Chitotriosidase. Acs Omega, 4, 2019
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6YNQ
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![BU of 6ynq by Molmil](/molmil-images/mine/6ynq) | Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone. | Descriptor: | (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 3C-like proteinase, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-04-14 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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6SL4
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![BU of 6sl4 by Molmil](/molmil-images/mine/6sl4) | The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum | Descriptor: | CALCIUM ION, Type 3a cellulose-binding domain protein | Authors: | Milana, M.V, Almog, R, Yaniv, O, Oded, L, Inna, R.G, Felix, F, Edward, A.B, Raphael, L. | Deposit date: | 2019-08-18 | Release date: | 2020-03-18 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The unique CBM-Cthe_0271 of Ruminiclostridium thermocellum To Be Published
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2HB9
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![BU of 2hb9 by Molmil](/molmil-images/mine/2hb9) | Crystal Structure of the Zinc-Beta-Lactamase L1 from Stenotrophomonas Maltophilia (Inhibitor 3) | Descriptor: | 4-AMINO-5-(2-METHYLPHENYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | Deposit date: | 2006-06-14 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia. J.Mol.Biol., 375, 2008
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6SWH
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![BU of 6swh by Molmil](/molmil-images/mine/6swh) | Crystal structure of the ternary complex between the type 1 pilus proteins FimC, FimI and FimA from E. coli | Descriptor: | 1,2-ETHANEDIOL, Chaperone protein FimC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Giese, C, Puorger, C, Ignatov, O, Weber, M, Scharer, M.A, Capitani, G, Glockshuber, R. | Deposit date: | 2019-09-20 | Release date: | 2020-10-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Comprehensive kinetic characterization of bacterial pilus rod assembly and assembly termination To Be Published
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6T00
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![BU of 6t00 by Molmil](/molmil-images/mine/6t00) | |
6T1M
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![BU of 6t1m by Molmil](/molmil-images/mine/6t1m) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 4 | Descriptor: | 1,2-ETHANEDIOL, 4-cyano-~{N}-[2-(piperidin-1-ylmethyl)-1~{H}-benzimidazol-5-yl]benzamide, Protein ENL | Authors: | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T89
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![BU of 6t89 by Molmil](/molmil-images/mine/6t89) | Thrombin in complex with (S)-N-(tert-butyl)-4-(3-(3-carbamimidoylphenyl)-2-((2',4'-dimethoxy-[1,1'-biphenyl])-3-sulfonamido)propanoyl)piperazine-1-carboxamide (MI-498) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-(4-methoxy-2-oxidanyl-phenyl)phenyl]sulfonylamino]propanoyl]-~{N}-methyl-piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... | Authors: | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | Deposit date: | 2019-10-24 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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6T9F
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![BU of 6t9f by Molmil](/molmil-images/mine/6t9f) | CRYSTAL STRUCTURE OF EN ENDOGLUCANASE S308P FROM PENICILLIUM VERRUCULOSUM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase | Authors: | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | Deposit date: | 2019-10-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.24847341 Å) | Cite: | CRYSTAL STRUCTURE OF EN ENDOGLUCANASE S308P FROM PENICILLIUM VERRUCULOSUM To Be Published
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6T9V
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![BU of 6t9v by Molmil](/molmil-images/mine/6t9v) | Bovine Trypsin in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CALCIUM ION, Cationic Trypsin, ... | Authors: | Merkl, S, Keils, A, Mueller, J.M, Pilgram, O, Steinmetzer, T. | Deposit date: | 2019-10-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12642729 Å) | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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1WOY
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![BU of 1woy by Molmil](/molmil-images/mine/1woy) | |
1WY5
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![BU of 1wy5 by Molmil](/molmil-images/mine/1wy5) | Crystal structure of isoluecyl-tRNA lysidine synthetase | Descriptor: | Hypothetical UPF0072 protein AQ_1887 | Authors: | Nakanishi, K, Fukai, S, Ikeuchi, Y, Soma, A, Sekine, Y, Suzuki, T, Nureki, O, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-02-06 | Release date: | 2005-05-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Structural basis for lysidine formation by ATP pyrophosphatase accompanied by a lysine-specific loop and a tRNA-recognition domain. Proc.Natl.Acad.Sci.Usa, 102, 2005
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6T8A
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![BU of 6t8a by Molmil](/molmil-images/mine/6t8a) | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl 2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | Authors: | Ngaha, S.A, Sandner, A, Huber, S, Heine, A, Steinmetzer, T, Pilgram, O. | Deposit date: | 2019-10-24 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Thrombin in complex with diphenyl ((4-carbamimidoylphenyl)((S)-1-((R)-3-cyclohexyl-2-((phenylmethyl)sulfonamido)propanoyl)pyrrolidine-2-carboxamido)methyl)phosphonate (MI-492) to be published
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6T1J
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![BU of 6t1j by Molmil](/molmil-images/mine/6t1j) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 2 | Descriptor: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide | Authors: | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6T1L
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![BU of 6t1l by Molmil](/molmil-images/mine/6t1l) | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with piperazine-urea derivative 3 | Descriptor: | 1,2-ETHANEDIOL, Protein ENL, ~{N}-[[4-(diethylaminomethyl)phenyl]methyl]-4-pyrimidin-2-yl-piperazine-1-carboxamide | Authors: | Chaikuad, A, Heidenreich, D, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-04 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1. Acs Med.Chem.Lett., 10, 2019
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6TB3
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![BU of 6tb3 by Molmil](/molmil-images/mine/6tb3) | yeast 80S ribosome in complex with the Not5 subunit of the CCR4-NOT complex | Descriptor: | 25S rRNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Buschauer, R, Cheng, J, Berninghausen, O, Tesina, P, Becker, T, Beckmann, R. | Deposit date: | 2019-10-31 | Release date: | 2020-04-22 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | The Ccr4-Not complex monitors the translating ribosome for codon optimality. Science, 368, 2020
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6T9G
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![BU of 6t9g by Molmil](/molmil-images/mine/6t9g) | CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase | Authors: | Nemashkalov, V, Kravchenko, O, Gabdulkhakov, A, Tischenko, S, Rozhkova, A, Sinitsyn, A. | Deposit date: | 2019-10-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.29620671 Å) | Cite: | CRYSTAL STRUCTURE OF AN ENDOGLUCANASE D213A FROM PENICILLIUM VERRUCULOSUM To Be Published
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2FM6
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![BU of 2fm6 by Molmil](/molmil-images/mine/2fm6) | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (native form) | Descriptor: | GLYCEROL, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | Deposit date: | 2006-01-07 | Release date: | 2007-01-16 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia. J.Mol.Biol., 375, 2008
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1WRA
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![BU of 1wra by Molmil](/molmil-images/mine/1wra) | |
2FU9
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![BU of 2fu9 by Molmil](/molmil-images/mine/2fu9) | Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (mp2 inhibitor complex) | Descriptor: | GLYCEROL, Metallo-beta-lactamase L1, N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE, ... | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | Deposit date: | 2006-01-26 | Release date: | 2007-01-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia. J.Mol.Biol., 375, 2008
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6T9T
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![BU of 6t9t by Molmil](/molmil-images/mine/6t9t) | Matriptase in complex with the synthetic inhibitor (S)-3-(3-(4-(3-(tert-butyl)ureido)piperidin-1-yl)-2-((3'-fluoro-4'-(hydroxymethyl)-[1,1'-biphenyl])-3-sulfonamido)-3-oxopropyl)benzimidamide (MI-1904) | Descriptor: | 1-~{tert}-butyl-3-[1-[(2~{S})-3-(3-carbamimidoylphenyl)-2-[[3-[3-fluoranyl-4-(hydroxymethyl)phenyl]phenyl]sulfonylamino ]propanoyl]piperidin-4-yl]urea, CHLORIDE ION, Suppressor of tumorigenicity 14 protein | Authors: | Mueller, J.M, Merkl, S, Keils, A, Pilgram, O, Steinmetzer, T. | Deposit date: | 2019-10-28 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors Eur.J.Med.Chem., 2022
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6TA5
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![BU of 6ta5 by Molmil](/molmil-images/mine/6ta5) | OprM-MexA complex from the MexAB-OprM Pseudomonas aeruginosa whole assembly reconstituted in nanodiscs | Descriptor: | Efflux pump membrane transporter, MexA family multidrug efflux RND transporter periplasmic adaptor subunit, Outer membrane protein OprM | Authors: | Glavier, M, Schoehn, G, Taveau, J.C, Phan, G, Daury, L, Lambert, O, Broutin, I. | Deposit date: | 2019-10-29 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex. Nat Commun, 11, 2020
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