3RRS
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![BU of 3rrs by Molmil](/molmil-images/mine/3rrs) | Crystal structure analysis of cellobiose phosphorylase from Cellulomonas uda | Descriptor: | Cellobiose phosphorylase | Authors: | Van Hoorebeke, A, Stout, J, Soetaert, W, Van Beeumen, J, Desmet, T, Savvides, S. | Deposit date: | 2011-04-30 | Release date: | 2012-05-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Cellobiose phosphorylase: reconstructing the structural itinerary along the catalytic pathway To be Published
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4KR0
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![BU of 4kr0 by Molmil](/molmil-images/mine/4kr0) | Complex structure of MERS-CoV spike RBD bound to CD26 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-15 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26. Nature, 500, 2013
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3RTD
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![BU of 3rtd by Molmil](/molmil-images/mine/3rtd) | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with NADH and ADP. | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ADENOSINE-5'-DIPHOSPHATE, BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | Deposit date: | 2011-05-03 | Release date: | 2011-06-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Identification of unknown protein function using metabolite cocktail screening. Structure, 20, 2012
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4KRX
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![BU of 4krx by Molmil](/molmil-images/mine/4krx) | Structure of Aes from E. coli | Descriptor: | Acetyl esterase, TETRAETHYLENE GLYCOL | Authors: | Schiefner, A, Gerber, K, Brosig, A, Boos, W. | Deposit date: | 2013-05-17 | Release date: | 2013-08-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and mutational analyses of Aes, an inhibitor of MalT in Escherichia coli. Proteins, 82, 2014
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4K47
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![BU of 4k47 by Molmil](/molmil-images/mine/4k47) | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | Deposit date: | 2013-04-12 | Release date: | 2013-09-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase Sci Rep, 3, 2013
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4K62
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![BU of 4k62 by Molmil](/molmil-images/mine/4k62) | Structure of an avian influenza H5 hemagglutinin from the influenza virus A/Indonesia/5/2005 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin | Authors: | Zhang, W, Shi, Y, Lu, X, Shu, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-04-15 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.502 Å) | Cite: | An airborne transmissible avian influenza H5 hemagglutinin seen at the atomic level. Science, 340, 2013
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3RBQ
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![BU of 3rbq by Molmil](/molmil-images/mine/3rbq) | Co-crystal structure of human UNC119 (retina gene 4) and an N-terminal Transducin-alpha mimicking peptide | Descriptor: | Guanine nucleotide-binding protein G(t) subunit alpha-1, Protein unc-119 homolog A | Authors: | Constantine, R, Whitby, F.G, Hill, C.P, Baehr, W. | Deposit date: | 2011-03-29 | Release date: | 2011-06-08 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | UNC119 is required for G protein trafficking in sensory neurons. Nat.Neurosci., 14, 2011
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3RFE
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![BU of 3rfe by Molmil](/molmil-images/mine/3rfe) | Crystal structure of glycoprotein GPIb ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Platelet glycoprotein Ib beta chain, ... | Authors: | McEwan, P.A, Yang, W, Carr, K.H, Mo, X, Zheng, X, Li, R, Emsley, J. | Deposit date: | 2011-04-06 | Release date: | 2011-12-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.245 Å) | Cite: | Quaternary organization of GPIb-IX complex and insights into Bernard-Soulier syndrome revealed by the structures of GPIbbeta and a GPIbbeta/GPIX chimer Blood, 118, 2011
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3RGX
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![BU of 3rgx by Molmil](/molmil-images/mine/3rgx) | Structural insight into brassinosteroid perception by BRI1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chai, J, Han, Z, She, J, Wang, J, Cheng, W, Wang, J. | Deposit date: | 2011-04-11 | Release date: | 2011-06-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Structural insight into brassinosteroid perception by BRI1. Nature, 474, 2011
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3T7V
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![BU of 3t7v by Molmil](/molmil-images/mine/3t7v) | Crystal structure of methylornithine synthase (PylB) | Descriptor: | 5-amino-D-isoleucine, IRON/SULFUR CLUSTER, S-ADENOSYLMETHIONINE, ... | Authors: | Quitterer, F, List, A, Eisenreich, W, Bacher, A, Groll, M. | Deposit date: | 2011-07-31 | Release date: | 2011-11-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of methylornithine synthase (PylB): insights into the pyrrolysine biosynthesis. Angew.Chem.Int.Ed.Engl., 51, 2012
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4KH0
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![BU of 4kh0 by Molmil](/molmil-images/mine/4kh0) | The R state structure of E. coli ATCase with ATP and Magnesium bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, ... | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | Deposit date: | 2013-04-29 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 52, 2013
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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) | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2013-04-27 | Release date: | 2013-08-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | 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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4KPU
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![BU of 4kpu by Molmil](/molmil-images/mine/4kpu) | Electron transferring flavoprotein of Acidaminococcus fermentans: Towards a mechanism of flavin-based electron bifurcation | Descriptor: | CHLORIDE ION, Electron transfer flavoprotein alpha subunit, Electron transfer flavoprotein alpha/beta-subunit, ... | Authors: | Mowafy, A.M, Chowdhury, N.P, Demmer, J, Upadhyay, V, Kolzer, S, Jayamani, E, Kahnt, J, Demmer, U, Ermler, U, Buckel, W. | Deposit date: | 2013-05-14 | Release date: | 2014-01-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Studies on the Mechanism of Electron Bifurcation Catalyzed by Electron Transferring Flavoprotein (Etf) and Butyryl-CoA Dehydrogenase (Bcd) of Acidaminococcus fermentans. J.Biol.Chem., 289, 2014
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3SZP
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![BU of 3szp by Molmil](/molmil-images/mine/3szp) | Full-length structure of the Vibrio cholerae virulence activator, AphB, a member of the LTTR protein family | Descriptor: | Transcriptional regulator, LysR family | Authors: | Taylor, J.L, De Silva, R.S, Kovacikova, G, Lin, W, Taylor, R.K, Skorupski, K, Kull, F.J. | Deposit date: | 2011-07-19 | Release date: | 2011-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | The crystal structure of AphB, a virulence gene activator from Vibrio cholerae, reveals residues that influence its response to oxygen and pH. Mol.Microbiol., 83, 2012
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4KR3
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![BU of 4kr3 by Molmil](/molmil-images/mine/4kr3) | Glycyl-tRNA synthetase mutant E71G in complex with tRNA-Gly | Descriptor: | GLYCINE, Gly-tRNA-CCC, Glycine--tRNA ligase, ... | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | Deposit date: | 2013-05-16 | Release date: | 2014-05-21 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.235 Å) | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation J.Biol.Chem., 289, 2014
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3T0G
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![BU of 3t0g by Molmil](/molmil-images/mine/3t0g) | IspH:HMBPP (substrate) structure of the T167C mutant | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-20 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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3T1C
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![BU of 3t1c by Molmil](/molmil-images/mine/3t1c) | Crystal Structure of NaK Channel D66Y Mutant | Descriptor: | POTASSIUM ION, Potassium channel protein | Authors: | Sauer, D.B, Zeng, W, Raghunathan, S, Jiang, Y. | Deposit date: | 2011-07-21 | Release date: | 2011-10-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Protein interactions central to stabilizing the K+ channel selectivity filter in a four-sited configuration for selective K+ permeation. Proc.Natl.Acad.Sci.USA, 108, 2011
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4KT8
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![BU of 4kt8 by Molmil](/molmil-images/mine/4kt8) | The complex structure of Rv3378c-Y51FY90F with substrate, TPP | Descriptor: | (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | Deposit date: | 2013-05-20 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
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4KLV
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![BU of 4klv by Molmil](/molmil-images/mine/4klv) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with 4-methylumbelliferyl phosphate | Descriptor: | 1,2-ETHANEDIOL, 4-methylumbelliferyl phosphate, SULFATE ION, ... | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2013-05-07 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA. J.Biol.Chem., 288, 2013
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3T0F
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![BU of 3t0f by Molmil](/molmil-images/mine/3t0f) | IspH:HMBPP (substrate) structure of the E126D mutant | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, FE3-S4 CLUSTER | Authors: | Span, I, Graewert, T, Bacher, A, Eisenreich, W, Groll, M. | Deposit date: | 2011-07-20 | Release date: | 2011-11-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structures of Mutant IspH Proteins Reveal a Rotation of the Substrate's Hydroxymethyl Group during Catalysis. J.Mol.Biol., 416, 2012
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3T32
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![BU of 3t32 by Molmil](/molmil-images/mine/3t32) | Crystal structure of a putative C-S lyase from Bacillus anthracis | Descriptor: | Aminotransferase, class I/II | Authors: | Anderson, S.M, Wawrzak, Z, Gordon, E, Peterson, S.N, Porebski, P, Minor, W, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-07-24 | Release date: | 2011-08-10 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a putative C-S lyase from Bacillus anthracis TO BE PUBLISHED
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4KR2
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![BU of 4kr2 by Molmil](/molmil-images/mine/4kr2) | Glycyl-tRNA synthetase in complex with tRNA-Gly | Descriptor: | ADENOSINE MONOPHOSPHATE, Gly-tRNA-CCC, Glycine--tRNA ligase | Authors: | Qin, X, Hao, Z, Tian, Q, Zhang, Z, Zhou, C, Xie, W. | Deposit date: | 2013-05-16 | Release date: | 2014-05-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.292 Å) | Cite: | Cocrystal Structures of Glycyl-tRNA Synthetase in Complex with tRNA Suggest Multiple Conformational States in Glycylation J.Biol.Chem., 289, 2014
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3SSK
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![BU of 3ssk by Molmil](/molmil-images/mine/3ssk) | |
4GTR
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![BU of 4gtr by Molmil](/molmil-images/mine/4gtr) | FTase in complex with BMS analogue 13 | Descriptor: | 4-({(3R)-7-cyano-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl}methyl)phenyl diethylcarbamate, DIMETHYL SULFOXIDE, FARNESYL DIPHOSPHATE, ... | Authors: | Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S. | Deposit date: | 2012-08-29 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of Selective, Potent RabGGTase Inhibitors J.Med.Chem., 55, 2012
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4GX5
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![BU of 4gx5 by Molmil](/molmil-images/mine/4gx5) | GsuK Channel | Descriptor: | CALCIUM ION, POTASSIUM ION, TrkA domain protein, ... | Authors: | Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. | Deposit date: | 2012-09-03 | Release date: | 2012-12-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel. elife, 1, 2012
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