1Y4B
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2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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1Y59
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![BU of 1y59 by Molmil](/molmil-images/mine/1y59) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 2,5-BIS-O-{3-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, GLYCEROL, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-02 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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1K61
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![BU of 1k61 by Molmil](/molmil-images/mine/1k61) | MATALPHA2 HOMEODOMAIN BOUND TO DNA | 分子名称: | 5'-D(*(5IU)P*GP*CP*GP*TP*GP*TP*AP*AP*AP*TP*GP*AP*AP*TP*TP*AP*CP*AP*TP*G)-3', 5'-D(*AP*CP*AP*TP*GP*TP*AP*AP*TP*TP*CP*AP*TP*TP*TP*AP*CP*AP*CP*GP*C)-3', Mating-type protein alpha-2 | 著者 | Aishima, J, Gitti, R.K, Noah, J.E, Gan, H.H, Schlick, T, Wolberger, C. | 登録日 | 2001-10-14 | 公開日 | 2002-12-11 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | A Hoogsteen base pair embedded in undistorted B-DNA NUCLEIC ACIDS RES., 30, 2002
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1Y5J
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2VD5
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![BU of 2vd5 by Molmil](/molmil-images/mine/2vd5) | Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII | 分子名称: | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN | 著者 | Pike, A.C.W, Amos, A, Elkins, J, Bullock, A, Guo, K, Fedorov, O, Bunkoczi, G, Filippakopoulos, P, Pilka, E.S, Ugochukwu, E, Umeano, C, Niesen, F, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, von Delft, F, Knapp, S. | 登録日 | 2007-09-30 | 公開日 | 2007-11-06 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of Dystrophia Myotonica Protein Kinase. Protein Sci., 18, 2009
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1Y5U
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![BU of 1y5u by Molmil](/molmil-images/mine/1y5u) | Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant | 分子名称: | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Di Fenza, A, Heine, A, Klebe, G. | 登録日 | 2004-12-03 | 公開日 | 2005-12-13 | 最終更新日 | 2021-11-10 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Understanding binding selectivity toward trypsin and factor Xa: the role of aromatic interactions Chemmedchem, 2, 2007
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1Y62
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![BU of 1y62 by Molmil](/molmil-images/mine/1y62) | A 2.4 crystal structure of conkunitzin-S1, a novel Kunitz-fold cone snail neurotoxin. | 分子名称: | Conkunitzin-S1, SULFATE ION | 著者 | Dy, C.Y, Buczek, P, Horvath, M.P. | 登録日 | 2004-12-03 | 公開日 | 2005-07-12 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure of conkunitzin-S1, a neurotoxin and Kunitz-fold disulfide variant from cone snail. Acta Crystallogr.,Sect.D, 62, 2006
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1Y6O
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![BU of 1y6o by Molmil](/molmil-images/mine/1y6o) | Crystal structure of disulfide engineered porcine pancreatic phospholipase A2 to group-X isozyme in complex with inhibitor MJ33 and phosphate ions | 分子名称: | 1-HEXADECYL-3-TRIFLUOROETHYL-SN-GLYCERO-2-PHOSPHATE METHANE, CALCIUM ION, PHOSPHATE ION, ... | 著者 | Yu, B.Z, Pan, Y.H, Jassen, M.J.W, Bahnson, B.J, Jain, M.K. | 登録日 | 2004-12-06 | 公開日 | 2005-03-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Kinetic and structural properties of disulfide engineered phospholipase a(2): insight into the role of disulfide bonding patterns. Biochemistry, 44, 2005
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2VU3
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![BU of 2vu3 by Molmil](/molmil-images/mine/2vu3) | 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-dichlorophenyl)carbonyl]amino}-N-piperidin-4-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 | 2008-05-20 | 公開日 | 2008-08-05 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.85 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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1K3M
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![BU of 1k3m by Molmil](/molmil-images/mine/1k3m) | NMR STRUCTURE OF HUMAN INSULIN MUTANT ILE-A2-ALA, HIS-B10-ASP, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | 分子名称: | INSULIN | 著者 | Xu, B, Hua, Q.-X, Nakagawa, S.H, Jia, W, Chu, Y.-C, Katsoyannis, P.G, Weiss, M.A. | 登録日 | 2001-10-03 | 公開日 | 2001-10-17 | 最終更新日 | 2021-10-27 | 実験手法 | SOLUTION NMR | 主引用文献 | A cavity-forming mutation in insulin induces segmental unfolding of a surrounding alpha-helix. Protein Sci., 11, 2002
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2CDS
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![BU of 2cds by Molmil](/molmil-images/mine/2cds) | LYSOZYME | 分子名称: | PROTEIN (LYSOZYME (E.C.3.2.1.17)) | 著者 | Kleywegt, G.J, Divne, C. | 登録日 | 1999-03-02 | 公開日 | 2003-05-20 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structure of Lysozyme To be Published
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2VV9
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![BU of 2vv9 by Molmil](/molmil-images/mine/2vv9) | CDK2 in complex with an imidazole piperazine | 分子名称: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2 | 著者 | Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M. | 登録日 | 2008-06-04 | 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 | Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode. Bioorg.Med.Chem.Lett., 18, 2008
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2CLS
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![BU of 2cls by Molmil](/molmil-images/mine/2cls) | The crystal structure of the human RND1 GTPase in the active GTP bound state | 分子名称: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RHO-RELATED GTP-BINDING PROTEIN RHO6 | 著者 | Pike, A.C.W, Yang, X, Colebrook, S, Gileadi, O, Sobott, F, Bray, J, Wen Hwa, L, Marsden, B, Zhao, Y, Schoch, G, Elkins, J, Debreczeni, J.E, Turnbull, A.P, von Delft, F, Arrowsmith, C, Edwards, A, Weigelt, J, Sundstrom, M, Doyle, D. | 登録日 | 2006-04-28 | 公開日 | 2006-05-04 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | 主引用文献 | The Crystal Structure of the Human Rnd1 Gtpase in the Active GTP Bound State To be Published
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2CHE
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![BU of 2che by Molmil](/molmil-images/mine/2che) | STRUCTURE OF THE MG2+-BOUND FORM OF CHEY AND MECHANISM OF PHOSPHORYL TRANSFER IN BACTERIAL CHEMOTAXIS | 分子名称: | CHEY, MAGNESIUM ION | 著者 | Stock, A, Martinez-Hackert, E, Rasmussen, B, West, A, Stock, J, Ringe, D, Petsko, G. | 登録日 | 1994-01-17 | 公開日 | 1994-04-30 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of the Mg(2+)-bound form of CheY and mechanism of phosphoryl transfer in bacterial chemotaxis. Biochemistry, 32, 1993
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1K6V
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2YIR
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![BU of 2yir by Molmil](/molmil-images/mine/2yir) | Structural analysis of checkpoint kinase 2 in complex with inhibitor PV1352 | 分子名称: | (E)-N-(5-(2-CARBAMIMIDOYLHYDRAZONO)-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)-7-NITRO-1H-INDOLE-2-CARBOXAMIDE, NITRATE ION, SERINE/THREONINE-PROTEIN KINASE CHK2 | 著者 | Lountos, G.T, Jobson, A.G, Tropea, J.E, Self, C, Zhang, G, Pommier, Y, Shoemaker, R.H, Waugh, D.S. | 登録日 | 2011-05-16 | 公開日 | 2011-09-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | X-Ray Structures of Checkpoint Kinase 2 in Complex with Inhibitors that Target its Gatekeeper-Dependent Hydrophobic Pocket. FEBS Lett., 585, 2011
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1YAZ
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![BU of 1yaz by Molmil](/molmil-images/mine/1yaz) | AZIDE-BOUND YEAST CU(II)/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE | 分子名称: | AZIDE ION, COPPER (II) ION, PROTEIN (CU/ZN SUPEROXIDE DISMUTASE), ... | 著者 | Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D. | 登録日 | 1998-12-23 | 公開日 | 2000-01-12 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | A structure-based mechanism for copper-zinc superoxide dismutase. Biochemistry, 38, 1999
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2C9S
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![BU of 2c9s by Molmil](/molmil-images/mine/2c9s) | 1.24 Angstroms resolution structure of Zn-Zn Human Superoxide dismutase | 分子名称: | ACETATE ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | 著者 | Strange, R.W, Antonyuk, S.V, Hough, M.A, Doucette, P.A, Valentine S, J.S, Hasnain, S. | 登録日 | 2005-12-14 | 公開日 | 2005-12-15 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Variable Metallation of Human Superoxide Dismutase: Atomic Resolution Crystal Structures of Cu-Zn, Zn-Zn and as-Isolated Wild-Type Enzymes. J.Mol.Biol., 356, 2006
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1K6U
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![BU of 1k6u by Molmil](/molmil-images/mine/1k6u) | Crystal Structure of Cyclic Bovine Pancreatic Trypsin Inhibitor | 分子名称: | 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | 著者 | Botos, I, Wu, Z, Lu, W, Wlodawer, A. | 登録日 | 2001-10-17 | 公開日 | 2001-12-19 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Crystal structure of a cyclic form of bovine pancreatic trypsin inhibitor. FEBS Lett., 509, 2001
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2CLC
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![BU of 2clc by Molmil](/molmil-images/mine/2clc) | CRYSTAL STRUCTURE ANALYSIS OF A FLUORESCENT FORM OF H-RAS P21 IN COMPLEX WITH GTP (2) | 分子名称: | GTPASE HRAS, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | 著者 | Klink, B.U, Goody, R.S, Scheidig, A.J. | 登録日 | 2006-04-27 | 公開日 | 2006-05-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | A Newly Designed Microspectrofluorometer for Kinetic Studies on Protein Crystals in Combination with X-Ray Diffraction Biophys.J., 91, 2006
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2CML
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![BU of 2cml by Molmil](/molmil-images/mine/2cml) | Structure of Neuraminidase from English Duck Subtype N6 Complexed with 30 MM ZANAMIVIR, Crystal Soaked for 3 Hours at 291 K. | 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, CALCIUM ION, ... | 著者 | Rudino-Pinera, E, Tunnah, P, Lukacik, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | 登録日 | 2006-05-10 | 公開日 | 2007-06-05 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites To be Published
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2VO0
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![BU of 2vo0 by Molmil](/molmil-images/mine/2vo0) | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 1-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, ... | 著者 | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | 登録日 | 2008-02-08 | 公開日 | 2008-04-08 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
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2CP4
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