5MHA
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![BU of 5mha by Molmil](/molmil-images/mine/5mha) | D-2-hydroxyacid dehydrogenases (D2-HDH) from Haloferax mediterranei in complex with a mixture of 2-ketohexanoic acid and 2-hydroxyhexanoic acid, and NADPH (1.57 A resolution) | 分子名称: | (2R)-2-hydroxyhexanoic acid, 1,2-ETHANEDIOL, 2-Ketohexanoic acid, ... | 著者 | Bisson, C, Baker, P.J, Domenech Perez, J, Pramanpol, N, Harding, S.E, Rice, D.W, Ferrer, J. | 登録日 | 2016-11-23 | 公開日 | 2018-05-09 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Productive ternary complexes of D-2-hydroxyacid dehydrogenase provide insights into the chiral specificity of its reaction mechanism To Be Published
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421P
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![BU of 421p by Molmil](/molmil-images/mine/421p) | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | 分子名称: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | 著者 | Krengel, U, John, J, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | 登録日 | 1991-06-06 | 公開日 | 1994-01-31 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules. Cell(Cambridge,Mass.), 62, 1990
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1TFQ
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![BU of 1tfq by Molmil](/molmil-images/mine/1tfq) | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP | 分子名称: | Baculoviral IAP repeat-containing protein 4, N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE, ZINC ION | 著者 | Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W. | 登録日 | 2004-05-27 | 公開日 | 2004-09-07 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Discovery of Potent Antagonists of the Antiapoptotic Protein XIAP for the Treatment of Cancer. J.Med.Chem., 47, 2004
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6N4N
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![BU of 6n4n by Molmil](/molmil-images/mine/6n4n) | Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | 著者 | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | 登録日 | 2018-11-19 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Multi-input chemical control of protein dimerization for programming graded cellular responses. Nat.Biotechnol., 37, 2019
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6CIJ
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![BU of 6cij by Molmil](/molmil-images/mine/6cij) | Cryo-EM structure of mouse RAG1/2 HFC complex containing partial HMGB1 linker(3.9 A) | 分子名称: | CALCIUM ION, DNA (30-MER), DNA (41-MER), ... | 著者 | Chen, X, Kim, M, Chuenchor, W, Cui, Y, Zhang, X, Zhou, Z.H, Gellert, M, Yang, W. | 登録日 | 2018-02-24 | 公開日 | 2018-04-25 | 最終更新日 | 2024-03-13 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Cracking the DNA Code for V(D)J Recombination. Mol. Cell, 70, 2018
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6JP1
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6RZU
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![BU of 6rzu by Molmil](/molmil-images/mine/6rzu) | Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes in the GTPgammaS bound state | 分子名称: | Putative mitochondrial dynamin protein | 著者 | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuelbrandt, W, Daumke, O. | 登録日 | 2019-06-13 | 公開日 | 2019-07-24 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (14.7 Å) | 主引用文献 | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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5M92
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![BU of 5m92 by Molmil](/molmil-images/mine/5m92) | PCE reductive dehalogenase from S. multivorans in complex with 2,4-dibromophenol | 分子名称: | 2,4-bis(bromanyl)phenol, BENZAMIDINE, BROMIDE ION, ... | 著者 | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | 登録日 | 2016-10-31 | 公開日 | 2017-07-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.785 Å) | 主引用文献 | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
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1TDB
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![BU of 1tdb by Molmil](/molmil-images/mine/1tdb) | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | 分子名称: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | 著者 | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | 登録日 | 1993-02-15 | 公開日 | 1993-07-15 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate. Biochemistry, 32, 1993
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1SYS
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![BU of 1sys by Molmil](/molmil-images/mine/1sys) | Crystal structure of HLA, B*4403, and peptide EEPTVIKKY | 分子名称: | Beta-2-microglobulin, Sorting nexin 5, leukocyte antigen (HLA) class I molecule | 著者 | Zernich, D, Purcell, A.W, Macdonald, W.A, Kjer-Nielsen, L, Ely, L.K, Laham, N, Crockford, T, Mifsud, N.A, Tait, B.D, Holdsworth, R, Brooks, A.G, Bottomley, S.P, Beddoe, T, Peh, C.A, Rossjohn, J, McCluskey, J. | 登録日 | 2004-04-01 | 公開日 | 2004-10-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Natural HLA class I polymorphism controls the pathway of antigen presentation and susceptibility to viral evasion J.Exp.Med., 200, 2004
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2GPN
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![BU of 2gpn by Molmil](/molmil-images/mine/2gpn) | 100 K STRUCTURE OF GLYCOGEN PHOSPHORYLASE AT 2.0 ANGSTROMS RESOLUTION | 分子名称: | GLYCOGEN PHOSPHORYLASE B | 著者 | Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N. | 登録日 | 1998-03-26 | 公開日 | 1998-07-01 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding. Protein Sci., 7, 1998
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2WT8
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2JFM
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![BU of 2jfm by Molmil](/molmil-images/mine/2jfm) | CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (UNLIGANDED FORM) | 分子名称: | 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE | 著者 | Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S. | 登録日 | 2007-02-02 | 公開日 | 2007-02-27 | 最終更新日 | 2018-01-24 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites. Embo J., 27, 2008
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6RV9
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![BU of 6rv9 by Molmil](/molmil-images/mine/6rv9) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid XUXXR | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | 著者 | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | 登録日 | 2019-05-31 | 公開日 | 2020-03-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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1SZ3
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![BU of 1sz3 by Molmil](/molmil-images/mine/1sz3) | CRYSTAL STRUCTURE OF NUDIX HYDROLASE DR1025 IN COMPLEXED WITH GNP AND MG+2 | 分子名称: | MAGNESIUM ION, MutT/nudix family protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | 著者 | Ranatunga, W, Hill, E.E, Mooster, J.L, Holbrook, E.L, Schulze-Gahmen, U, Xu, W, Bessman, M.J, Brenner, S.E, Holbrook, S.R, Berkeley Structural Genomics Center (BSGC) | 登録日 | 2004-04-02 | 公開日 | 2004-05-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structural Studies of the Nudix Hydrolase DR1025 From Deinococcus radiodurans and its Ligand Complexes. J.Mol.Biol., 339, 2004
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6N65
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![BU of 6n65 by Molmil](/molmil-images/mine/6n65) | KRAS G-quadruplex G16T mutant. | 分子名称: | KRAS G-quadruplex G16T mutant, POTASSIUM ION | 著者 | Schmidberger, J.W, Ou, A, Smith, N.M, Iyer, K.S, Bond, C.S. | 登録日 | 2018-11-25 | 公開日 | 2020-04-15 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | High resolution crystal structure of a KRAS promoter G-quadruplex reveals a dimer with extensive poly-A pi-stacking interactions for small-molecule recognition. Nucleic Acids Res., 48, 2020
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6RYX
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![BU of 6ryx by Molmil](/molmil-images/mine/6ryx) | Copper oxidase from Colletotrichum graminicola | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Offen, W.A, Henrissat, B, Davies, G.J. | 登録日 | 2019-06-12 | 公開日 | 2019-11-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Discovery of a Fungal Copper Radical Oxidase with High Catalytic Efficiency toward 5-Hydroxymethylfurfural and Benzyl Alcohols for Bioprocessing Acs Catalysis, 2020
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1T64
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![BU of 1t64 by Molmil](/molmil-images/mine/1t64) | Crystal Structure of human HDAC8 complexed with Trichostatin A | 分子名称: | CALCIUM ION, Histone deacetylase 8, SODIUM ION, ... | 著者 | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | 登録日 | 2004-05-05 | 公開日 | 2004-07-27 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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5M7L
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![BU of 5m7l by Molmil](/molmil-images/mine/5m7l) | Blastochloris viridis photosynthetic reaction center synchrotron structure | 分子名称: | (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL A, ... | 著者 | Sharma, A.S, Johansson, L, Dunevall, E, Wahlgren, W.Y, Neutze, R, Katona, G. | 登録日 | 2016-10-28 | 公開日 | 2017-02-08 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | 主引用文献 | Asymmetry in serial femtosecond crystallography data. Acta Crystallogr A Found Adv, 73, 2017
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6RZT
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![BU of 6rzt by Molmil](/molmil-images/mine/6rzt) | Structure of s-Mgm1 decorating the outer surface of tubulated lipid membranes | 分子名称: | Putative mitochondrial dynamin protein | 著者 | Faelber, K, Dietrich, L, Noel, J.K, Sanchez, R, Kudryashev, M, Kuehlbrandt, W, Daumke, O. | 登録日 | 2019-06-13 | 公開日 | 2019-07-24 | 最終更新日 | 2020-11-18 | 実験手法 | ELECTRON MICROSCOPY (14.7 Å) | 主引用文献 | Structure and assembly of the mitochondrial membrane remodelling GTPase Mgm1. Nature, 571, 2019
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1JJ9
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![BU of 1jj9 by Molmil](/molmil-images/mine/1jj9) | Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition | 分子名称: | 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ... | 著者 | Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A. | 登録日 | 2001-07-04 | 公開日 | 2001-08-01 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition. J.Biol.Chem., 276, 2001
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1N87
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6CGP
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![BU of 6cgp by Molmil](/molmil-images/mine/6cgp) | Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with MAIP-032 | 分子名称: | 1,2-ETHANEDIOL, Hdac6 protein, N-hydroxy-4-[(2-propylimidazo[1,2-a]pyridin-3-yl)amino]benzamide, ... | 著者 | Osko, J.D, Christianson, D.W. | 登録日 | 2018-02-20 | 公開日 | 2018-06-13 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Multicomponent Synthesis and Binding Mode of Imidazo[1,2- a]pyridine-Capped Selective HDAC6 Inhibitors. Org. Lett., 20, 2018
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4KFP
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![BU of 4kfp by Molmil](/molmil-images/mine/4kfp) | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | 著者 | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | 登録日 | 2013-04-27 | 公開日 | 2013-08-14 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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3ZXW
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![BU of 3zxw by Molmil](/molmil-images/mine/3zxw) | STRUCTURE OF ACTIVATED RUBISCO FROM THERMOSYNECHOCOCCUS ELONGATUS COMPLEXED WITH 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE | 分子名称: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | 著者 | Terlecka, B, Wilhelmi, V, Bialek, W, Gubernator, B, Szczepaniak, A, Hofmann, E. | 登録日 | 2011-08-16 | 公開日 | 2012-08-29 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase from Thermosynechococcus Elongatus To be Published
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