7GQO
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![BU of 7gqo by Molmil](/molmil-images/mine/7gqo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z3227118860 | Descriptor: | 5-iodo-1H-pyrazole, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GPO
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![BU of 7gpo by Molmil](/molmil-images/mine/7gpo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0066 | Descriptor: | (3R,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GO4
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![BU of 7go4 by Molmil](/molmil-images/mine/7go4) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198233191 | Descriptor: | (4S)-imidazo[1,2-a]pyrimidine-5,7-diol, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | PanDDA analysis group deposition To Be Published
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3Q6I
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![BU of 3q6i by Molmil](/molmil-images/mine/3q6i) | Crystal structure of FabG4 and coenzyme binary complex | Descriptor: | (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Dutta, D, Bhattacharyya, S, Das, A.K. | Deposit date: | 2011-01-01 | Release date: | 2012-01-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of holoFabG4 To be Published
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7GQP
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![BU of 7gqp by Molmil](/molmil-images/mine/7gqp) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494 | Descriptor: | 1H-imidazole-5-carbonitrile, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GOO
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![BU of 7goo by Molmil](/molmil-images/mine/7goo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1980894300 | Descriptor: | Protease 3C, [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GPU
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![BU of 7gpu by Molmil](/molmil-images/mine/7gpu) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with POB0122 | Descriptor: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one, DIMETHYL SULFOXIDE, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQF
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![BU of 7gqf by Molmil](/molmil-images/mine/7gqf) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z362020366 | Descriptor: | DIMETHYL SULFOXIDE, Protease 3C, [1,2,4]triazolo[4,3-a]pyridin-3-amine | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | PanDDA analysis group deposition To Be Published
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3QP8
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![BU of 3qp8 by Molmil](/molmil-images/mine/3qp8) | Crystal structure of CviR (Chromobacterium violaceum 12472) ligand-binding domain bound to C10-HSL | Descriptor: | CviR transcriptional regulator, N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide | Authors: | Chen, G, Swem, L, Swem, D, Stauff, D, O'Loughlin, C, Jeffrey, P, Bassler, B, Hughson, F. | Deposit date: | 2011-02-11 | Release date: | 2011-03-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A strategy for antagonizing quorum sensing. Mol.Cell, 42, 2011
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3Q9I
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![BU of 3q9i by Molmil](/molmil-images/mine/3q9i) | LVFFA segment from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold, bromide derivative | Descriptor: | CHLORIDE ION, Cyclic pseudo-peptide LV(4BF)FA(ORN)(HAO)LK(ORN), GLYCEROL, ... | Authors: | Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J. | Deposit date: | 2011-01-07 | Release date: | 2011-06-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics. J.Am.Chem.Soc., 133, 2011
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3Q87
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![BU of 3q87 by Molmil](/molmil-images/mine/3q87) | Structure of E. cuniculi Mtq2-Trm112 complex responible for the methylation of eRF1 translation termination factor | Descriptor: | N6 adenine specific DNA methylase, Putative uncharacterized protein ECU08_1170, S-ADENOSYLMETHIONINE, ... | Authors: | Liger, D, Mora, L, Lazar, N, Figaro, S, Henri, J, Scrima, N, Buckingham, R.H, van Tilbeurgh, H, Heurgue-Hamard, V, Graille, M. | Deposit date: | 2011-01-06 | Release date: | 2011-05-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.997 Å) | Cite: | Mechanism of activation of methyltransferases involved in translation by the Trm112 'hub' protein Nucleic Acids Res., 2011
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7MTX
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![BU of 7mtx by Molmil](/molmil-images/mine/7mtx) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P176 | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-13 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P176 To Be Published
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7MTU
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![BU of 7mtu by Molmil](/molmil-images/mine/7mtu) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P221 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, INOSINIC ACID, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-05-13 | Release date: | 2021-06-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P221 To Be Published
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3QFV
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![BU of 3qfv by Molmil](/molmil-images/mine/3qfv) | MRCK beta in complex with TPCA-1 | Descriptor: | 1,2-ETHANEDIOL, 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide, CDC42BPB protein, ... | Authors: | Heikkila, T.J, Wheatley, E, Crighton, D, Schroder, E, Boakes, A, Kaye, S.J, Mezna, M, Pang, L, Rushbrooke, M, Turnbull, A, Olson, M.F. | Deposit date: | 2011-01-23 | Release date: | 2011-10-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Co-crystal structures of inhibitors with MRCK beta , a key regulator of tumor cell invasion. Plos One, 6, 2011
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7MGV
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![BU of 7mgv by Molmil](/molmil-images/mine/7mgv) | Chryseobacterium gregarium RiPP-associated ATP-grasp ligase in complex with ADP, and a leader and core peptide | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CdnA3 Core peptide, CdnA3 Leader peptide, ... | Authors: | Bewley, C.A, Zhao, G, Kosek, D, Dyda, F. | Deposit date: | 2021-04-13 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural Basis for a Dual Function ATP Grasp Ligase That Installs Single and Bicyclic omega-Ester Macrocycles in a New Multicore RiPP Natural Product. J.Am.Chem.Soc., 143, 2021
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3QO4
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![BU of 3qo4 by Molmil](/molmil-images/mine/3qo4) | The Crystal Structure of Death Receptor 6 | Descriptor: | ACETATE ION, SULFATE ION, Tumor necrosis factor receptor superfamily member 21 | Authors: | Kuester, M, Kemmerzehl, S, Dahms, S.O, Roeser, D, Than, M.E. | Deposit date: | 2011-02-09 | Release date: | 2011-05-18 | Last modified: | 2012-02-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of death receptor 6 (DR6): a potential receptor of the amyloid precursor protein (APP). J.Mol.Biol., 409, 2011
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3QPU
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![BU of 3qpu by Molmil](/molmil-images/mine/3qpu) | PFKFB3 in complex with PPi | Descriptor: | 1,2-ETHANEDIOL, 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, PYROPHOSPHATE 2-, ... | Authors: | Cavalier, M.C, Kim, S.G, Neau, D, Lee, Y.H. | Deposit date: | 2011-02-14 | Release date: | 2012-02-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular basis of the fructose-2,6-bisphosphatase reaction of PFKFB3: Transition state and the C-terminal function. Proteins, 80, 2012
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3Q64
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![BU of 3q64 by Molmil](/molmil-images/mine/3q64) | X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405. | Descriptor: | Mll3774 protein | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Wang, D, Ciccosanti, C, Sahdev, S, Nair, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2010-12-30 | Release date: | 2011-01-12 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405. To be Published
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3TL0
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![BU of 3tl0 by Molmil](/molmil-images/mine/3tl0) | Structure of SHP2 N-SH2 domain in complex with RLNpYAQLWHR peptide | Descriptor: | RLNpYAQLWHR peptide, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Zhang, Y, Zhang, J, Yuan, C, Hard, R.L, Park, I.H, Li, C, Bell, C.E, Pei, D. | Deposit date: | 2011-08-29 | Release date: | 2011-09-28 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Simultaneous binding of two peptidyl ligands by a SRC homology 2 domain. Biochemistry, 50, 2011
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3TKC
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![BU of 3tkc by Molmil](/molmil-images/mine/3tkc) | Design, Synthesis, Evaluation and Structure of Vitamin D Analogues with Furan Side Chains | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-[5-(1-hydroxy-1-methylethyl)furan-2-yl]-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | Authors: | Huet, T, Moras, D, Rochel, N. | Deposit date: | 2011-08-26 | Release date: | 2012-03-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Design, synthesis, evaluation, and structure of vitamin D analogues with furan side chains. Chemistry, 18, 2012
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3TLQ
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![BU of 3tlq by Molmil](/molmil-images/mine/3tlq) | Crystal structure of EAL-like domain protein YdiV | Descriptor: | GLYCEROL, PHOSPHATE ION, Regulatory protein YdiV | Authors: | Li, B, Li, N, Wang, F, Guo, L, Liu, C, Zhu, D, Xu, S, Gu, L. | Deposit date: | 2011-08-30 | Release date: | 2012-09-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility Nucleic Acids Res., 40, 2012
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7KU0
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![BU of 7ku0 by Molmil](/molmil-images/mine/7ku0) | Data clustering and dynamics of chymotrypsinogen cluster 138 (yellow) structure | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Nguyen, T, Phan, K.L, Kreitler, D.F, Andrews, L.C, Gabelli, S.B, Kozakov, D, Jakoncic, J, Sweet, R.M, Soares, A.S, Bernstein, H.J. | Deposit date: | 2020-11-24 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A simple technique to classify diffraction data from dynamic proteins according to individual polymorphs. Acta Crystallogr D Struct Biol, 78, 2022
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3U9W
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![BU of 3u9w by Molmil](/molmil-images/mine/3u9w) | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | Authors: | Niegowski, D, Thunnissen, M, Tholander, F, Rinaldo-Matthis, A, Muroya, A, Haeggstrom, J.Z. | Deposit date: | 2011-10-20 | Release date: | 2012-10-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structure of human Leukotriene A4 hydrolase in complex with inhibitor sc57461A To be Published
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3UBC
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![BU of 3ubc by Molmil](/molmil-images/mine/3ubc) | Oxygen-bound hell's gate globin I by LB nanotemplate method | Descriptor: | Hemoglobin-like flavoprotein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Belmonte, L, Scudieri, D, Nicolini, C, Pechkova, E. | Deposit date: | 2011-10-24 | Release date: | 2012-03-28 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Oxygen-bound Hell's gate globin I by classical versus LB nanotemplate method. J.Cell.Biochem., 8, 2012
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7L30
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![BU of 7l30 by Molmil](/molmil-images/mine/7l30) | Binjari virus (BinJV) | Descriptor: | Envelope protein E, prM protein | Authors: | Hardy, J.M, Venugopal, H.V, Newton, N.D, Watterson, D, Coulibaly, F.J. | Deposit date: | 2020-12-17 | Release date: | 2021-03-10 | Last modified: | 2021-05-26 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The structure of an infectious immature flavivirus redefines viral architecture and maturation. Sci Adv, 7, 2021
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