6Q61
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![BU of 6q61 by Molmil](/molmil-images/mine/6q61) | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | Descriptor: | Kunitz-type conkunitzin-S1, SULFATE ION | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | Deposit date: | 2018-12-10 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels. Proc.Natl.Acad.Sci.USA, 116, 2019
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6WQX
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![BU of 6wqx by Molmil](/molmil-images/mine/6wqx) | Human PRPK-TPRKB complex | Descriptor: | EKC/KEOPS complex subunit TP53RK, EKC/KEOPS complex subunit TPRKB, MAGNESIUM ION, ... | Authors: | Li, J, Ma, X.L, Banerjee, S, Dong, Z.G. | Deposit date: | 2020-04-29 | Release date: | 2021-02-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal structure of the human PRPK-TPRKB complex. Commun Biol, 4, 2021
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6UAN
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![BU of 6uan by Molmil](/molmil-images/mine/6uan) | B-Raf:14-3-3 complex | Descriptor: | 14-3-3 zeta, Serine/threonine-protein kinase B-raf | Authors: | Kondo, Y, Ognjenovic, J, Banerjee, S, Karandur, D, Merk, A, Kulhanek, K, Wong, K, Roose, J.P, Subramaniam, S, Kuriyan, J. | Deposit date: | 2019-09-11 | Release date: | 2019-09-25 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of a dimeric B-Raf:14-3-3 complex reveals asymmetry in the active sites of B-Raf kinases. Science, 366, 2019
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5HBS
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![BU of 5hbs by Molmil](/molmil-images/mine/5hbs) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol at 0.89 angstrom. | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2016-01-02 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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6X6O
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![BU of 6x6o by Molmil](/molmil-images/mine/6x6o) | Crystal structure of T4 protein Spackle as determined by native SAD phasing | Descriptor: | CHLORIDE ION, Protein spackle | Authors: | Shi, K, Kurniawan, F, Banerjee, S, Moeller, N.H, Aihara, H. | Deposit date: | 2020-05-28 | Release date: | 2020-09-16 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal structure of bacteriophage T4 Spackle as determined by native SAD phasing. Acta Crystallogr D Struct Biol, 76, 2020
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5H9A
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![BU of 5h9a by Molmil](/molmil-images/mine/5h9a) | Crystal structure of the Apo form of human cellular retinol binding protein 1 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-26 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.381 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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5H8T
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![BU of 5h8t by Molmil](/molmil-images/mine/5h8t) | Crystal structure of human cellular retinol binding protein 1 in complex with all-trans-retinol | Descriptor: | RETINOL, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-23 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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8BA5
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![BU of 8ba5 by Molmil](/molmil-images/mine/8ba5) | Crystal structure of the DNMT3A ADD domain | Descriptor: | 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 3A, MAGNESIUM ION, ... | Authors: | Linhard, V, Kunert, S, Wollenhaupt, J, Broehm, A, Schwalbe, H, Jeltsch, A. | Deposit date: | 2022-10-11 | Release date: | 2022-11-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The MECP2-TRD domain interacts with the DNMT3A-ADD domain at the H3-tail binding site. Protein Sci., 32, 2023
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8GKV
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![BU of 8gkv by Molmil](/molmil-images/mine/8gkv) | Crystal structure of anti-adaptor IraP that regulates RpoS proteolysis | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Shaw, G.X, Gan, J, Suburaman, P, Battesti, A, Zhou, Y.N, Wickner, S, Gottesman, S, Ji, X. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Structural and functional study of anti-adaptor IraP-mediated regulation of RpoS proteolysis to be published
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5I7V
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![BU of 5i7v by Molmil](/molmil-images/mine/5i7v) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT02 | Descriptor: | 2-phenoxy-5-propyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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6Q6C
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![BU of 6q6c by Molmil](/molmil-images/mine/6q6c) | Pore-modulating toxins exploit inherent slow inactivation to block K+ channels | Descriptor: | 1,2-ETHANEDIOL, Kunitz-type conkunitzin-S1, NITRATE ION, ... | Authors: | Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E. | Deposit date: | 2018-12-10 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pore-modulating toxins exploit inherent slow inactivation to block K+channels. Proc.Natl.Acad.Sci.USA, 116, 2019
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5I8W
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![BU of 5i8w by Molmil](/molmil-images/mine/5i8w) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT401 | Descriptor: | 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-19 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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6P7A
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![BU of 6p7a by Molmil](/molmil-images/mine/6p7a) | CRYSTAL STRUCTURE OF THE FOWLPOX VIRUS HOLLIDAY JUNCTION RESOLVASE | Descriptor: | CADMIUM ION, Holliday junction resolvase | Authors: | Li, N, Shi, K, Banerjee, S, Rao, T, Aihara, H. | Deposit date: | 2019-06-05 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.081 Å) | Cite: | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase. Sci Rep, 10, 2020
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5I7S
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![BU of 5i7s by Molmil](/molmil-images/mine/5i7s) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT01 | Descriptor: | 5-ETHYL-2-PHENOXYPHENOL, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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6N47
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![BU of 6n47 by Molmil](/molmil-images/mine/6n47) | The structure of SB-2-204-tubulin complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ... | Authors: | Arnst, K, Banerjee, S, Wang, Y, Li, W, Miller, D, Li, W. | Deposit date: | 2018-11-17 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | X-ray Crystal Structure Guided Discovery and Antitumor Efficacy of Dihydroquinoxalinone as Potent Tubulin Polymerization Inhibitors. Acs Chem.Biol., 14, 2019
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5HA1
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![BU of 5ha1 by Molmil](/molmil-images/mine/5ha1) | Crystal structure of human cellular retinol binding protein 1 in complex with retinylamine | Descriptor: | (2~{E},4~{E},6~{E},8~{E})-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine, Retinol-binding protein 1 | Authors: | Golczak, M, Arne, J.M, Silvaroli, J.A, Kiser, P.D, Banerjee, S. | Deposit date: | 2015-12-29 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ligand Binding Induces Conformational Changes in Human Cellular Retinol-binding Protein 1 (CRBP1) Revealed by Atomic Resolution Crystal Structures. J.Biol.Chem., 291, 2016
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8P7K
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![BU of 8p7k by Molmil](/molmil-images/mine/8p7k) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | (2~{R})-2-methylpentanedioic acid, FORMIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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6P7B
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![BU of 6p7b by Molmil](/molmil-images/mine/6p7b) | Crystal structure of Fowlpox virus resolvase and substrate Holliday junction DNA complex | Descriptor: | DNA (29-MER), Holliday junction resolvase | Authors: | Li, N, Shi, K, Rao, T, Banerjee, S, Aihara, H. | Deposit date: | 2019-06-05 | Release date: | 2020-04-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.317 Å) | Cite: | Structural insights into the promiscuous DNA binding and broad substrate selectivity of fowlpox virus resolvase. Sci Rep, 10, 2020
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5I9M
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![BU of 5i9m by Molmil](/molmil-images/mine/5i9m) | Crystal structure of B. pseudomallei FabI in complex with NAD and PT408 | Descriptor: | 5-ethyl-4-fluoro-2-[(2-methylpyridin-3-yl)oxy]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C. | Deposit date: | 2016-02-20 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase. Biochemistry, 56, 2017
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8P7I
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![BU of 8p7i by Molmil](/molmil-images/mine/8p7i) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | (2~{S},6~{R})-2,6-dimethyl-1,3-dioxane-4,4-diol, FORMIC ACID, Parathion hydrolase, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7N
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![BU of 8p7n by Molmil](/molmil-images/mine/8p7n) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | FORMIC ACID, Parathion hydrolase, ZINC ION | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7V
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![BU of 8p7v by Molmil](/molmil-images/mine/8p7v) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | Authors: | Dym, O, Aggawal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.737 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7S
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![BU of 8p7s by Molmil](/molmil-images/mine/8p7s) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-31 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7Q
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![BU of 8p7q by Molmil](/molmil-images/mine/8p7q) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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8P7R
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![BU of 8p7r by Molmil](/molmil-images/mine/8p7r) | The impact of molecular variants, crystallization conditions and space group on structure-ligand complexes: A case study on Bacterial Phosphotriesterase Variants and complexes | Descriptor: | 1-ethyl-1-methyl-cyclohexane, FORMIC ACID, GLYCEROL, ... | Authors: | Dym, O, Aggarwal, N, Ashani, Y, Albeck, S, Unger, T, Hamer Rogotner, S, Silman, I, Sussman, J.L. | Deposit date: | 2023-05-30 | Release date: | 2023-10-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The impact of molecular variants, crystallization conditions and the space group on ligand-protein complexes: a case study on bacterial phosphotriesterase. Acta Crystallogr D Struct Biol, 79, 2023
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