2C1I
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![BU of 2c1i by Molmil](/molmil-images/mine/2c1i) | Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant. | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ... | Authors: | Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F. | Deposit date: | 2005-09-15 | Release date: | 2005-09-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor. Proc. Natl. Acad. Sci. U.S.A., 102, 2005
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1R6U
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![BU of 1r6u by Molmil](/molmil-images/mine/1r6u) | Crystal structure of an active fragment of human tryptophanyl-tRNA synthetase with cytokine activity | Descriptor: | GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase | Authors: | Yang, X.-L, Otero, F.J, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | Deposit date: | 2003-10-16 | Release date: | 2004-01-06 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional and crystal structure analysis of active site adaptations of a potent anti-angiogenic human tRNA synthetase Structure, 15, 2007
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2BK5
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![BU of 2bk5 by Molmil](/molmil-images/mine/2bk5) | Human Monoamine Oxidase B: I199F mutant in complex with isatin | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, ISATIN | Authors: | Binda, C, Edmondson, D.E, Mattevi, A, Hubalek, F, Khalil, A, Li, M, Castagnoli, N. | Deposit date: | 2005-02-10 | Release date: | 2005-02-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Demonstration of Isoleucine 199 as a Structural Determinant for the Selective Inhibition of Human Monoamine Oxidase B by Specific Reversible Inhibitors. J.Biol.Chem., 280, 2005
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6REG
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![BU of 6reg by Molmil](/molmil-images/mine/6reg) | Crystal structure of Pizza6-S with Zn2+ | Descriptor: | GLYCEROL, Pizza6-S, ZINC ION | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Artificial beta-propeller protein-based hydrolases. Chem.Commun.(Camb.), 55, 2019
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6REK
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![BU of 6rek by Molmil](/molmil-images/mine/6rek) | Crystal structure of Pizza6-SH with Cu2+ | Descriptor: | COPPER (II) ION, GLYCEROL, Pizza6-SH | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Artificial beta-propeller protein-based hydrolases. Chem.Commun.(Camb.), 55, 2019
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2BWK
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![BU of 2bwk by Molmil](/molmil-images/mine/2bwk) | Murine angiogenin, sulphate complex | Descriptor: | ANGIOGENIN, SULFATE ION | Authors: | Holloway, D.E, Chavali, G.B, Hares, M.C, Subramanian, V, Acharya, K.R. | Deposit date: | 2005-07-15 | Release date: | 2005-11-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of Murine Angiogenin: Features of the Substrate- and Cell-Binding Regions and Prospects for Inhibitor-Binding Studies. Acta Crystallogr.,Sect.D, 61, 2005
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6REI
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![BU of 6rei by Molmil](/molmil-images/mine/6rei) | Crystal structure of Pizza6-S with Cd2+ | Descriptor: | CADMIUM ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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2BXS
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![BU of 2bxs by Molmil](/molmil-images/mine/2bxs) | Human Monoamine Oxidase A in complex with Clorgyline, Crystal Form B | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] A, FLAVIN-ADENINE DINUCLEOTIDE, N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE | Authors: | De Colibus, L, Binda, C, Edmondson, D.E, Mattevi, A. | Deposit date: | 2005-07-27 | Release date: | 2005-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B Proc.Natl.Acad.Sci.USA, 102, 2005
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6REM
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![BU of 6rem by Molmil](/molmil-images/mine/6rem) | Crystal structure of Pizza6-SH with Sulphate ion | Descriptor: | Pizza6-SH, SULFATE ION | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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6XUF
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![BU of 6xuf by Molmil](/molmil-images/mine/6xuf) | HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21 | Descriptor: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Scott, D.E, Hyvonen, M.E. | Deposit date: | 2020-01-19 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.241 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To be published
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1RO9
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![BU of 1ro9 by Molmil](/molmil-images/mine/1ro9) | CRYSTAL STRUCTURES OF THE CATALYTIC DOMAIN OF PHOSPHODIESTERASE 4B2B COMPLEXED WITH 8-Br-AMP | Descriptor: | 8-BROMO-ADENOSINE-5'-MONOPHOSPHATE, ZINC ION, cAMP-specific 3',5'-cyclic phosphodiesterase 4B | Authors: | Xu, R.X, Rocque, W.J, Lambert, M.H, Vanderwall, D.E, Nolte, R.T. | Deposit date: | 2003-12-01 | Release date: | 2004-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal structures of the catalytic domain of phosphodiesterase 4B complexed with AMP, 8-Br-AMP, and rolipram. J.Mol.Biol., 337, 2004
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2BYB
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![BU of 2byb by Molmil](/molmil-images/mine/2byb) | Human Monoamine Oxidase B in complex with Deprenyl | Descriptor: | AMINE OXIDASE [FLAVIN-CONTAINING] B, DEPRENYL, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Binda, C, De Colibus, L, Edmondson, D.E, Mattevi, A. | Deposit date: | 2005-07-29 | Release date: | 2005-08-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Three-Dimensional Structure of Human Monoamine Oxidase a (Mao A): Relation to the Structures of Rat Mao a and Human Mao B Proc.Natl.Acad.Sci.USA, 102, 2005
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6REL
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![BU of 6rel by Molmil](/molmil-images/mine/6rel) | Crystal structure of Pizza6-SH with CdCl2 nanocrystal | Descriptor: | CADMIUM ION, CHLORIDE ION, Pizza6-SH | Authors: | Noguchi, H, Clarke, D.E, Gryspeerdt, J.L, Feyter, S.D, Voet, A.R.D. | Deposit date: | 2019-04-12 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Artificial beta-Propeller Protein-based Hydrolases To Be Published
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2C76
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![BU of 2c76 by Molmil](/molmil-images/mine/2c76) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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6O9Y
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![BU of 6o9y by Molmil](/molmil-images/mine/6o9y) | Structure of human PARG complexed with JA2-8 | Descriptor: | 7-[(2S)-2-hydroxy-3-(morpholin-4-yl)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6OAV
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![BU of 6oav by Molmil](/molmil-images/mine/6oav) | JAK2 JH2 in complex with JAK146 | Descriptor: | 5-amino-3-[(4-cyanophenyl)amino]-N-phenyl-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-18 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.939 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6OBB
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![BU of 6obb by Molmil](/molmil-images/mine/6obb) | JAK2 JH2 in complex with JAK170 | Descriptor: | 5-amino-N-phenyl-3-[(4-sulfamoylphenyl)amino]-1H-1,2,4-triazole-1-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Krimmer, S.G, Liosi, M.E, Puleo, D.E, Schlessinger, J, Jorgensen, W.L. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.904 Å) | Cite: | Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core. J.Med.Chem., 63, 2020
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6OA3
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![BU of 6oa3 by Molmil](/molmil-images/mine/6oa3) | Structure of human PARG complexed with JA2131 | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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2C73
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![BU of 2c73 by Molmil](/molmil-images/mine/2c73) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, N-PROPARGYL-1(S)-AMINOINDAN | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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6XUJ
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![BU of 6xuj by Molmil](/molmil-images/mine/6xuj) | HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 | Descriptor: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Scott, D.E, Hyvonen, M. | Deposit date: | 2020-01-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To be published
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2C70
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![BU of 2c70 by Molmil](/molmil-images/mine/2c70) | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins | Descriptor: | AMINE OXIDASE (FLAVIN-CONTAINING) B, FLAVIN-ADENINE DINUCLEOTIDE, P-NITRO-BENZYLAMINE | Authors: | Li, M, Binda, C, Mattevi, A, Edmondson, D.E. | Deposit date: | 2005-11-17 | Release date: | 2006-04-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Functional Role of the Aromatic Cage in Human Monoamine Oxidase B: Structures and Catalytic Properties of Tyr435 Mutant Proteins Biochemistry, 45, 2006
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1RLO
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![BU of 1rlo by Molmil](/molmil-images/mine/1rlo) | Phospho-aspartyl Intermediate Analogue of ybiV from E. coli K12 | Descriptor: | GLYCEROL, MAGNESIUM ION, Phosphatase | Authors: | Roberts, A, Lee, S.Y, McCullagh, E, Silversmith, R.E, Wemmer, D.E. | Deposit date: | 2003-11-26 | Release date: | 2004-12-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ybiv from Escherichia coli K12 is a HAD phosphatase. Proteins, 58, 2005
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4TMN
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![BU of 4tmn by Molmil](/molmil-images/mine/4tmn) | SLOW-AND FAST-BINDING INHIBITORS OF THERMOLYSIN DISPLAY DIFFERENT MODES OF BINDING. CRYSTALLOGRAPHIC ANALYSIS OF EXTENDED PHOSPHONAMIDATE TRANSITION-STATE ANALOGUES | Descriptor: | CALCIUM ION, N-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-L-leucyl-L-alanine, THERMOLYSIN, ... | Authors: | Holden, H.M, Tronrud, D.E, Monzingo, A.F, Weaver, L.H, Matthews, B.W. | Deposit date: | 1987-06-29 | Release date: | 1989-01-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Slow- and fast-binding inhibitors of thermolysin display different modes of binding: crystallographic analysis of extended phosphonamidate transition-state analogues. Biochemistry, 26, 1987
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4TNH
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![BU of 4tnh by Molmil](/molmil-images/mine/4tnh) | RT XFEL structure of Photosystem II in the dark state at 4.9 A resolution | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | Deposit date: | 2014-06-04 | Release date: | 2014-07-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (4.900007 Å) | Cite: | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy. Nat Commun, 5, 2014
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4RWC
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![BU of 4rwc by Molmil](/molmil-images/mine/4rwc) | Racemic M2-TM crystallized from racemic detergent | Descriptor: | Matrix protein 2, octyl beta-D-glucopyranoside | Authors: | Mortenson, D.E, Steinkruger, J.D, Kreitler, D.F, Gellman, S.H, Forest, K.T. | Deposit date: | 2014-12-02 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | High-resolution structures of a heterochiral coiled coil. Proc.Natl.Acad.Sci.USA, 112, 2015
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