7G8W
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![BU of 7g8w by Molmil](/molmil-images/mine/7g8w) | ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1416193393 | 分子名称: | 4-(5-methyl-1H-pyrazol-4-yl)piperidine, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E. | 登録日 | 2023-06-22 | 公開日 | 2023-07-12 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.939 Å) | 主引用文献 | ARHGEF2 PanDDA analysis group deposition To Be Published
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6OQI
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![BU of 6oqi by Molmil](/molmil-images/mine/6oqi) | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | 分子名称: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | 著者 | Murray, J.M. | 登録日 | 2019-04-26 | 公開日 | 2020-07-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma. Bioorg.Med.Chem.Lett., 29, 2019
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6WTN
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![BU of 6wtn by Molmil](/molmil-images/mine/6wtn) | Human JAK2 JH1 domain in complex with Ruxolitinib | 分子名称: | (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile, 1,2-ETHANEDIOL, Tyrosine-protein kinase JAK2 | 著者 | Yu, S, Nithianantham, S, Fischer, M. | 登録日 | 2020-05-03 | 公開日 | 2021-05-05 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Degradation of Janus kinases in CRLF2-rearranged acute lymphoblastic leukemia. Blood, 138, 2021
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407D
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![BU of 407d by Molmil](/molmil-images/mine/407d) | STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide | 著者 | Rees, D.C. | 登録日 | 1998-06-24 | 公開日 | 1998-10-19 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA. Science, 282, 1998
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4B49
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![BU of 4b49 by Molmil](/molmil-images/mine/4b49) | 1.15 A Structure of Lysozyme Crystallized without 2-methyl-2,4- pentanediol | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, LYSOZYME C | 著者 | Jakoncic, J, Berger, J, Stauber, M, Axelbaum, A, Asherie, N. | 登録日 | 2012-07-28 | 公開日 | 2012-08-22 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Crystallization of Lysozyme with (R)-, (S)- and (Rs)-2-Methyl-2,4-Pentanediol Acta Crystallogr.,Sect.D, 71, 2015
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6R3E
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![BU of 6r3e by Molmil](/molmil-images/mine/6r3e) | Human DNMT3B PWWP domain in complex with triisopropanolamine | 分子名称: | DNA (cytosine-5)-methyltransferase 3B,DNA (cytosine-5)-methyltransferase 3B, SULFATE ION, Triisopropanolamine | 著者 | Rondelet, G, Dal Maso, T, Wouters, J. | 登録日 | 2019-03-20 | 公開日 | 2020-04-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.269 Å) | 主引用文献 | Targeting PWWP domain of DNMT3B for epigenetic cancer therapy: identification and structural characterization of potential protein-protein interaction inhibitors To be published
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3U67
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![BU of 3u67 by Molmil](/molmil-images/mine/3u67) | Crystal structure of the N-terminal domain of Hsp90 from Leishmania major(LmjF33.0312)in complex with ADP | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Heat shock protein 83-1, ... | 著者 | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Mackenzie, F, Fairlamb, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | 登録日 | 2011-10-12 | 公開日 | 2012-05-30 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Exploring the Trypanosoma brucei Hsp83 potential as a target for structure guided drug design. PLoS Negl Trop Dis, 7, 2013
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3RG2
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5PAO
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![BU of 5pao by Molmil](/molmil-images/mine/5pao) | Crystal Structure of Factor VIIa in complex with (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide;hydrobromide | 分子名称: | (2S)-2,3-dihydroxy-N-[[3-[5-hydroxy-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazol-1-yl]phenyl]methyl]propanamide, CALCIUM ION, CHLORIDE ION, ... | 著者 | Stihle, M, Mayweg, A, Roever, S, Rudolph, M.G. | 登録日 | 2016-11-10 | 公開日 | 2017-06-21 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Crystal Structure of a Factor VIIa complex To be published
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3R0Y
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![BU of 3r0y by Molmil](/molmil-images/mine/3r0y) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | 分子名称: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | 著者 | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | 登録日 | 2011-03-09 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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4BJQ
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![BU of 4bjq by Molmil](/molmil-images/mine/4bjq) | Crystal structure of E. coli penicillin binding protein 3, domain V88- S165 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PENICILLIN BINDING PROTEIN TRANSPEPTIDASE DOMAIN PROTEIN, SULFATE ION | 著者 | Sauvage, E, Joris, M, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | 登録日 | 2013-04-19 | 公開日 | 2014-05-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Penicillin-Binding Protein 3 (Pbp3) from Escherichia Coli. Plos One, 9, 2014
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4B1U
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![BU of 4b1u by Molmil](/molmil-images/mine/4b1u) | Structure of the Phactr1 RPEL domain and RPEL motif directed assemblies with G-actin reveal the molecular basis for actin binding cooperativity. | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACTIN, ALPHA SKELETAL MUSCLE, ... | 著者 | Mouilleron, S, Wiezlak, M, O'Reilly, N, Treisman, R, McDonald, N.Q. | 登録日 | 2012-07-12 | 公開日 | 2013-07-31 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structures of the Phactr1 RPEL domain and RPEL motif complexes with G-actin reveal the molecular basis for actin binding cooperativity. Structure, 20, 2012
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2I3W
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![BU of 2i3w by Molmil](/molmil-images/mine/2i3w) | Measurement of conformational changes accompanying desensitization in an ionotropic glutamate receptor: Structure of S729C mutant | 分子名称: | GLUTAMATE RECEPTOR SUBUNIT 2, GLUTAMIC ACID | 著者 | Armstrong, N, Jasti, J, Beich-Frandsen, M, Gouaux, E. | 登録日 | 2006-08-21 | 公開日 | 2006-10-17 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Measurement of Conformational Changes accompanying Desensitization in an Ionotropic Glutamate Receptor. Cell(Cambridge,Mass.), 127, 2006
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3ZVY
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![BU of 3zvy by Molmil](/molmil-images/mine/3zvy) | PHD finger of human UHRF1 in complex with unmodified histone H3 N- terminal tail | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, E3 UBIQUITIN-PROTEIN LIGASE UHRF1, ... | 著者 | Lallous, N, Birck, C, Mc Ewen, A.G, Legrand, P, Samama, J.P. | 登録日 | 2011-07-28 | 公開日 | 2011-12-07 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | The Phd Finger of Human Uhrf1 Reveals a New Subgroup of Unmethylated Histone H3 Tail Readers. Plos One, 6, 2011
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4C1X
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![BU of 4c1x by Molmil](/molmil-images/mine/4c1x) | Carbohydrate binding domain from Streptococcus pneumoniae NanA sialidase complexed with 6'-sialyllactose | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, SIALIDASE A | 著者 | Yang, L, Connaris, H, Potter, J.A, Taylor, G.L. | 登録日 | 2013-08-14 | 公開日 | 2014-09-10 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural Characterization of the Carbohydrate-Binding Module of Nana Sialidase, a Pneumococcal Virulence Factor. Bmc Struct.Biol., 15, 2015
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2JHG
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![BU of 2jhg by Molmil](/molmil-images/mine/2jhg) | Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase | 分子名称: | 2-METHYLPROPANAMIDE, ALCOHOL DEHYDROGENASE E CHAIN, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Meijers, R, Adolph, H.W, Dauter, Z, Wilson, K.S, Lamzin, V.S, Cedergren-Zeppezauer, E.S. | 登録日 | 2007-02-22 | 公開日 | 2007-04-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural Evidence for a Ligand Coordination Switch in Liver Alcohol Dehydrogenase Biochemistry, 46, 2007
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4BMX
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![BU of 4bmx by Molmil](/molmil-images/mine/4bmx) | Native structure of futalosine hydrolase of Helicobacter pylori strain 26695 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE | 著者 | Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J. | 登録日 | 2013-05-12 | 公開日 | 2013-09-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway Acta Crystallogr.,Sect.D, 70, 2014
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3P7B
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![BU of 3p7b by Molmil](/molmil-images/mine/3p7b) | p38 inhibitor-bound | 分子名称: | 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Moffett, K.K, Namboodiri, H. | 登録日 | 2010-10-12 | 公開日 | 2011-10-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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4KWL
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![BU of 4kwl by Molmil](/molmil-images/mine/4kwl) | Rat cysteine dioxygenase with 3-mercaptopropionic acid persulfide bound | 分子名称: | 3-disulfanylpropanoic acid, Cysteine dioxygenase type 1, FE (II) ION | 著者 | Souness, R.J, Wilbanks, S.M, Jameson, G.B, Jameson, G.N.L. | 登録日 | 2013-05-24 | 公開日 | 2013-10-23 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase. Biochemistry, 52, 2013
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4COT
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![BU of 4cot by Molmil](/molmil-images/mine/4cot) | The importance of the Abn2 calcium cluster in the endo-1,5- arabinanase activity from Bacillus subtilis | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EXTRACELLULAR ENDO-ALPHA-(1->5)-L-ARABINANASE 2, NICKEL (II) ION | 著者 | McVey, C.E, Ferreira, M.J, Correia, B, Lahiri, S, deSanctis, D, Carrondo, M.A, Lindley, P.F, de Sa-Nogueira, I, Soares, C.M, Bento, I. | 登録日 | 2014-01-31 | 公開日 | 2014-03-05 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Importance of the Abn2 Calcium Cluster in the Endo-1,5-Arabinanase Activity from Bacillus Subtilis. J.Biol.Inorg.Chem., 19, 2014
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6RLL
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![BU of 6rll by Molmil](/molmil-images/mine/6rll) | CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ44064146 | 分子名称: | (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(1,8-diazaspiro[4.5]decan-1-ylmethyl)oxolane-3,4-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5 | 著者 | Brown, D.G, Robinson, C.M, Pande, V. | 登録日 | 2019-05-02 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | A chemical probe for the methyl transferase PRMT5 with a novel
binding mode To Be Published
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6XQW
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6ORO
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![BU of 6oro by Molmil](/molmil-images/mine/6oro) | Modified BG505 SOSIP-based immunogen RC1 in complex with the elicited V3-glycan patch antibody Ab874NHP | 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, Ab874NHP antibody Fab heavy chain, ... | 著者 | Abernathy, M.E, Gristick, H.B, Bjorkman, P.J. | 登録日 | 2019-04-30 | 公開日 | 2019-06-12 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Immunization expands B cells specific to HIV-1 V3 glycan in mice and macaques. Nature, 570, 2019
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6RNY
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![BU of 6rny by Molmil](/molmil-images/mine/6rny) | PFV intasome - nucleosome strand transfer complex | 分子名称: | DNA (108-MER), DNA (128-MER), DNA (33-MER), ... | 著者 | Pye, V.E, Renault, L, Maskell, D.P, Cherepanov, P, Costa, A. | 登録日 | 2019-05-09 | 公開日 | 2019-09-25 | 最終更新日 | 2024-05-22 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Retroviral integration into nucleosomes through DNA looping and sliding along the histone octamer. Nat Commun, 10, 2019
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4D07
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![BU of 4d07 by Molmil](/molmil-images/mine/4d07) | DYNLL2 dynein light chain binds to an extended, unstructured linear motif of myosin 5a tail | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, COBALT (II) ION, DYNEIN LIGHT CHAIN 2, ... | 著者 | Bodor, A, Radnai, L, Hetenyi, C, Rapali, P, Lang, A, Kover, K.E, Perczel, A, Wahlgren, W.Y, Katona, G, Nyitray, L. | 登録日 | 2014-04-24 | 公開日 | 2014-10-22 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Dynll2 Dynein Light Chain Binds to an Extended Linear Motif of Myosin 5A Tail that Has Structural Plasticity. Biochemistry, 53, 2014
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