4TT7
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![BU of 4tt7 by Molmil](/molmil-images/mine/4tt7) | Crystal structure of human ALK with a covalent modification | Descriptor: | 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ALK tyrosine kinase receptor | Authors: | Badger, J, Sridhar, V, Chie-Leon, B, Nienaber, V.L, Hausheer, F.H. | Deposit date: | 2014-06-19 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Novel covalent modification of human anaplastic lymphoma kinase (ALK) and potentiation of crizotinib-mediated inhibition of ALK activity by BNP7787. Onco Targets Ther, 8, 2015
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3EEI
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![BU of 3eei by Molmil](/molmil-images/mine/3eei) | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5-methylthioadenosine nucleosidase/S-adenosylhomocysteine nucleosidase | Authors: | Ho, M, Rinaldo-matthis, A, Brown, R.L, Norris, G.E, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2008-09-04 | Release date: | 2009-09-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from neisseria meningitidis in complex with methylthio-immucillin-A To be Published
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3ERB
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![BU of 3erb by Molmil](/molmil-images/mine/3erb) | |
5JTH
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![BU of 5jth by Molmil](/molmil-images/mine/5jth) | Crystal structure of E67A calmodulin - CaM:RM20 analog complex | Descriptor: | CALCIUM ION, Calmodulin, Myosin light chain kinase, ... | Authors: | Grum-Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2016-05-09 | Release date: | 2017-07-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Crystal structure of E67A calmodulin - CaM:RM20 analog complex To Be Published
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5JQA
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![BU of 5jqa by Molmil](/molmil-images/mine/5jqa) | CaM:RM20 complex | Descriptor: | CALCIUM ION, Calmodulin, Myosin light chain kinase, ... | Authors: | Tokars, V.L, Minasov, G, Anderson, W.F, Watterson, D.M. | Deposit date: | 2016-05-04 | Release date: | 2017-10-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CaM:RM20 complex To be Published
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4OWE
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![BU of 4owe by Molmil](/molmil-images/mine/4owe) | PtCl6 binding to HEWL | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | Tanley, S.W.M, Starkey, V.L, Lamplough, L, Kaenket, S, Helliwell, J.R. | Deposit date: | 2014-01-31 | Release date: | 2014-09-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | The binding of platinum hexahalides (Cl, Br and I) to hen egg-white lysozyme and the chemical transformation of the PtI6 octahedral complex to a PtI3 moiety bound to His15. Acta Crystallogr.,Sect.F, 70, 2014
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5KB1
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![BU of 5kb1 by Molmil](/molmil-images/mine/5kb1) | Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide | Descriptor: | CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ... | Authors: | Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-06-02 | Release date: | 2016-08-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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1Y6R
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![BU of 1y6r by Molmil](/molmil-images/mine/1y6r) | Crystal structure of MTA/AdoHcy nucleosidase complexed with MT-ImmA. | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, MTA/SAH nucleosidase | Authors: | Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L. | Deposit date: | 2004-12-06 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase. J.Biol.Chem., 280, 2005
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3FZ0
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![BU of 3fz0 by Molmil](/molmil-images/mine/3fz0) | Inosine-Guanosine Nucleoside Hydrolase (IG-NH) | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Nucleoside hydrolase, ... | Authors: | Vandemeulebroucke, A, Minici, C, Bruno, I, Muzzolini, L, Tornaghi, P, Parkin, D.W, Schramm, V.L, Versees, W, Steyaert, J, Degano, M. | Deposit date: | 2009-01-23 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure and mechanism of the 6-oxopurine nucleosidase from Trypanosoma brucei brucei Biochemistry, 49, 2010
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5KB2
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![BU of 5kb2 by Molmil](/molmil-images/mine/5kb2) | Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide | Descriptor: | ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3- | Authors: | Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. | Deposit date: | 2016-06-02 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
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1Y6Q
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![BU of 1y6q by Molmil](/molmil-images/mine/1y6q) | Cyrstal structure of MTA/AdoHcy nucleosidase complexed with MT-DADMe-ImmA | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, CHLORIDE ION, MTA/SAH nucleosidase | Authors: | Lee, J.E, Singh, V, Evans, G.B, Tyler, P.C, Furneaux, R.H, Cornell, K.A, Riscoe, M.K, Schramm, V.L, Howell, P.L. | Deposit date: | 2004-12-06 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural rationale for the affinity of pico- and femtomolar transition state analogues of Escherichia coli 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase. J.Biol.Chem., 280, 2005
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1ZSQ
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![BU of 1zsq by Molmil](/molmil-images/mine/1zsq) | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3-phosphate | Descriptor: | 1,2-ETHANEDIOL, 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE, Myotubularin-related protein 2 | Authors: | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | Deposit date: | 2005-05-25 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase Proc.Natl.Acad.Sci.Usa, 103, 2006
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4RQX
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![BU of 4rqx by Molmil](/molmil-images/mine/4rqx) | Crystal structure of human peroxiredoxin 4(THIOREDOXIN PEROXIDASE) with MESNA | Descriptor: | 1-THIOETHANESULFONIC ACID, Peroxiredoxin-4 | Authors: | Badger, J, Sridhar, V, Logan, C, Hausheer, F.H, Nienaber, V.L. | Deposit date: | 2014-11-05 | Release date: | 2015-04-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.256 Å) | Cite: | Cysteine Specific Targeting of the Functionally Distinct Peroxiredoxin and Glutaredoxin Proteins by the Investigational Disulfide BNP7787. Molecules, 20, 2015
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1ZVR
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![BU of 1zvr by Molmil](/molmil-images/mine/1zvr) | Crystal Structure of MTMR2 in complex with phosphatidylinositol 3,5-bisphosphate | Descriptor: | (1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE, 1,2-ETHANEDIOL, Myotubularin-related protein 2 | Authors: | Begley, M.J, Taylor, G.S, Brock, M.A, Ghosh, P, Woods, V.L, Dixon, J.E. | Deposit date: | 2005-06-02 | Release date: | 2006-01-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Molecular basis for substrate recognition by MTMR2, a myotubularin family phosphoinositide phosphatase Proc.Natl.Acad.Sci.Usa, 103, 2006
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1ZVW
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![BU of 1zvw by Molmil](/molmil-images/mine/1zvw) | The Crystal Structure of TrpD (Rv2192c) from Mycobacterium tuberculosis in Complex with PRPP and Magnesium | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, BENZAMIDINE, ... | Authors: | Lee, C.E, Lott, J.S, Baker, E.N, Arcus, V.L, Javid-Majd, F, Goodfellow, C, Hung, L.-W, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2005-06-02 | Release date: | 2006-01-17 | Last modified: | 2021-08-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of TrpD, a Metabolic Enzyme Essential for Lung Colonization by Mycobacterium tuberculosis, in Complex with its Substrate Phosphoribosylpyrophosphate. J.Mol.Biol., 355, 2006
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3EWC
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![BU of 3ewc by Molmil](/molmil-images/mine/3ewc) | Crystal Structure of adenosine deaminase from Plasmodial vivax in complex with MT-coformycin | Descriptor: | (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION | Authors: | Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C. | Deposit date: | 2008-10-14 | Release date: | 2009-09-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases. Biochemistry, 48, 2009
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1ZOS
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![BU of 1zos by Molmil](/molmil-images/mine/1zos) | Structure of 5'-methylthionadenosine/S-Adenosylhomocysteine nucleosidase from S. pneumoniae with a transition-state inhibitor MT-ImmA | Descriptor: | (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase | Authors: | Shi, W, Singh, V, Zhen, R, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L. | Deposit date: | 2005-05-13 | Release date: | 2006-04-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and inhibition of a quorum sensing target from Streptococcus pneumoniae. Biochemistry, 45, 2006
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4POL
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![BU of 4pol by Molmil](/molmil-images/mine/4pol) | Crystal structures of thioredoxin with mesna at 2.8A resolution | Descriptor: | 1-THIOETHANESULFONIC ACID, Thioredoxin | Authors: | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | Deposit date: | 2014-02-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity J Pharmacol Clin Toxicol, 2, 2014
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1XOI
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![BU of 1xoi by Molmil](/molmil-images/mine/1xoi) | Human Liver Glycogen Phosphorylase A complexed with Chloroindoloyl glycine amide | Descriptor: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-AMIDE, Glycogen phosphorylase, liver form, ... | Authors: | Wright, S.W, Rath, V.L, Gibbs, E.M, Treadway, J.L. | Deposit date: | 2004-10-06 | Release date: | 2005-04-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 5-Chloroindoloyl glycine amide inhibitors of glycogen phosphorylase: synthesis, in vitro, in vivo, and X-ray crystallographic characterization. Bioorg.Med.Chem.Lett., 15, 2005
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4POK
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![BU of 4pok by Molmil](/molmil-images/mine/4pok) | Crystal structures of thioredoxin with mesna at 2.5A resolution | Descriptor: | 1-THIOETHANESULFONIC ACID, Thioredoxin | Authors: | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | Deposit date: | 2014-02-25 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity J Pharmacol Clin Toxicol, 2, 2014
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4POM
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![BU of 4pom by Molmil](/molmil-images/mine/4pom) | Crystal structures of thioredoxin with mesna at 1.85A resolution | Descriptor: | 1-THIOETHANESULFONIC ACID, Thioredoxin | Authors: | Sridhar, V, Chie-Leon, B, Badger, J, Nienaber, V.L, Hausheer, F.H. | Deposit date: | 2014-02-26 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | BNP7787 Forms Novel Covalent
Adducts on Human Thioredoxin
and Modulates Thioredoxin
Activity J Pharmacol Clin Toxicol, 2, 2014
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2A0Y
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![BU of 2a0y by Molmil](/molmil-images/mine/2a0y) | Structure of human purine nucleoside phosphorylase H257D mutant | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, Purine nucleoside phosphorylase, SULFATE ION | Authors: | Murkin, A.S, Shi, W, Schramm, V.L. | Deposit date: | 2005-06-17 | Release date: | 2006-06-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Neighboring group participation in the transition state of human purine nucleoside phosphorylase. Biochemistry, 46, 2007
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4QAT
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![BU of 4qat by Molmil](/molmil-images/mine/4qat) | 1.75 A resolution structure of CT263-D161N (MTAN) from Chlamydia trachomatis bound to MTA | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, CT263 | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | Deposit date: | 2014-05-05 | Release date: | 2014-10-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway. J.Biol.Chem., 289, 2014
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1ZVM
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![BU of 1zvm by Molmil](/molmil-images/mine/1zvm) | Crystal structure of human CD38: cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase | Descriptor: | ADP-ribosyl cyclase 1, SULFATE ION | Authors: | Shi, W, Yang, T, Almo, S.C, Schramm, V.L, Sauve, A. | Deposit date: | 2005-06-02 | Release date: | 2006-06-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human CD38: Cyclic-ADP-ribosyl synthetase/NAD+ glycohydrolase To be Published
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4QFB
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![BU of 4qfb by Molmil](/molmil-images/mine/4qfb) | 1.99 A resolution structure of SeMet-CT263 (MTAN) from Chlamydia trachomatis | Descriptor: | CT263 | Authors: | Barta, M.L, Thomas, K, Lovell, S, Battaile, K.P, Schramm, V.L, Hefty, P.S. | Deposit date: | 2014-05-20 | Release date: | 2014-10-01 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Structural and Biochemical Characterization of Chlamydia trachomatis Hypothetical Protein CT263 Supports That Menaquinone Synthesis Occurs through the Futalosine Pathway. J.Biol.Chem., 289, 2014
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