1LVB
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![BU of 1lvb by Molmil](/molmil-images/mine/1lvb) | CATALYTICALLY INACTIVE TOBACCO ETCH VIRUS PROTEASE COMPLEXED WITH SUBSTRATE | Descriptor: | CATALYTIC DOMAIN OF THE NUCLEAR INCLUSION PROTEIN A (NIA), GLYCEROL, OLIGOPEPTIDE SUBSTRATE FOR THE PROTEASE | Authors: | Phan, J, Zdanov, A, Evdokimov, A.G, Tropea, J.E, Peters III, H.K, Kapust, R.B, Li, M, Wlodawer, A, Waugh, D.S. | Deposit date: | 2002-05-28 | Release date: | 2002-11-27 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the substrate specificity of tobacco etch virus protease. J.Biol.Chem., 277, 2002
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1LYV
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![BU of 1lyv by Molmil](/molmil-images/mine/1lyv) | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate. | Descriptor: | CHLORIDE ION, PHOSPHATE ION, PROTEIN-TYROSINE PHOSPHATASE YOPH | Authors: | Evdokimov, A.G, Waugh, D.S, Routzahn, K, Tropea, J, Cherry, S. | Deposit date: | 2002-06-08 | Release date: | 2002-07-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.363 Å) | Cite: | High-resolution structure of the catalytically inactive yersinia tyrosine phosphatase C403A mutant in complex with phosphate. To be Published
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8EVK
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![BU of 8evk by Molmil](/molmil-images/mine/8evk) | Crystal structure of Helicobacter pylori dihydroneopterin aldolase (DHNA) | Descriptor: | 1,2-ETHANEDIOL, Dihydroneopterin aldolase, PTERINE | Authors: | Shaw, G.X, Cherry, S, Tropea, J.E, Ji, X. | Deposit date: | 2022-10-20 | Release date: | 2023-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structure of Helicobacter pylori dihydroneopterin aldolase suggests a fragment-based strategy for isozyme-specific inhibitor design. Curr Res Struct Biol, 5, 2023
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2EZ6
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![BU of 2ez6 by Molmil](/molmil-images/mine/2ez6) | Crystal structure of Aquifex aeolicus RNase III (D44N) complexed with product of double-stranded RNA processing | Descriptor: | 28-MER, MAGNESIUM ION, Ribonuclease III | Authors: | Gan, J, Tropea, J.E, Austin, B.P, Court, D.L, Waugh, D.S, Ji, X. | Deposit date: | 2005-11-10 | Release date: | 2006-02-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insight into the Mechanism of Double-Stranded RNA Processing by Ribonuclease III. Cell(Cambridge,Mass.), 124, 2006
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4AZ1
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![BU of 4az1 by Molmil](/molmil-images/mine/4az1) | Crystal structure of the Trypanosoma cruzi protein tyrosine phosphatase TcPTP1, a potential therapeutic target for Chagas' disease | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, TYROSINE SPECIFIC PROTEIN PHOSPHATASE | Authors: | Lountos, G.T, Tropea, J.E, Waugh, D.S. | Deposit date: | 2012-06-22 | Release date: | 2012-11-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.181 Å) | Cite: | Structure of the Trypanosoma Cruzi Protein Tyrosine Phosphatase Tcptp1, a Potential Therapeutic Target for Chagas' Disease. Mol.Biochem.Parasitol., 187, 2012
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6DIM
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![BU of 6dim by Molmil](/molmil-images/mine/6dim) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJD
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![BU of 6djd by Molmil](/molmil-images/mine/6djd) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT1982 (single soak) | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 2019
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6DHU
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![BU of 6dhu by Molmil](/molmil-images/mine/6dhu) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from cocktail soak | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, benzene-1,2,4-tricarboxylic acid | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-21 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJE
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![BU of 6dje by Molmil](/molmil-images/mine/6dje) | Crystal structure of Tdp1 catalytic domain in complex with Sigma Aldrich compound CDS010292 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-(propan-2-yl)quinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DIE
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![BU of 6die by Molmil](/molmil-images/mine/6die) | Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment benzene-1,2,4-tricarboxylic acid from single soak | Descriptor: | 1,2-ETHANEDIOL, Tdp1 catalytic domain (residues 149-609), benzene-1,2,4-tricarboxylic acid | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-23 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6DJF
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![BU of 6djf by Molmil](/molmil-images/mine/6djf) | Crystal structure of Tdp1 catalytic domain in complex with compound XZ502 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxyquinoline-3,8-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-05-25 | Release date: | 2019-05-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
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6APX
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![BU of 6apx by Molmil](/molmil-images/mine/6apx) | Crystal structure of human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion in complex with the monobody YSX1 | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Dual specificity protein phosphatase 1, Monobody YSX1, ... | Authors: | Gumpena, R, Lountos, G.T, Sreejith, R.K, Tropea, J.E, Cherry, S, Waugh, D.S. | Deposit date: | 2017-08-18 | Release date: | 2017-11-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.491 Å) | Cite: | Crystal structure of the human dual specificity phosphatase 1 catalytic domain. Protein Sci., 27, 2018
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4A0E
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![BU of 4a0e by Molmil](/molmil-images/mine/4a0e) | |
4Y2E
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![BU of 4y2e by Molmil](/molmil-images/mine/4y2e) | Crystal structure of the catalytic domain of human dual-specificity phosphatase 7 (C232S) | Descriptor: | Dual specificity protein phosphatase 7, PHOSPHATE ION | Authors: | Lountos, G.T, Austin, B.P, Tropea, J.E, Waugh, D.S. | Deposit date: | 2015-02-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure of human dual-specificity phosphatase 7, a potential cancer drug target. Acta Crystallogr.,Sect.F, 71, 2015
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4M2Z
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![BU of 4m2z by Molmil](/molmil-images/mine/4m2z) | Crystal structure of RNASE III complexed with double-stranded RNA and CMP (TYPE II CLEAVAGE) | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, RNA10, ... | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2013-08-05 | Release date: | 2013-12-11 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | RNase III: Genetics and Function; Structure and Mechanism. Annu. Rev. Genet., 47, 2013
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4M30
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![BU of 4m30 by Molmil](/molmil-images/mine/4m30) | Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2013-08-05 | Release date: | 2013-12-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | RNase III: Genetics and Function; Structure and Mechanism. Annu. Rev. Genet., 47, 2013
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4WOH
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![BU of 4woh by Molmil](/molmil-images/mine/4woh) | Structure of of human dual-specificity phosphatase 22 (E24A/K28A/K30A/C88S) complexed with 4-nitrophenolphosphate | Descriptor: | 1,2-ETHANEDIOL, 4-NITROPHENYL PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lountos, G.T, Cherry, S, Tropea, J.E, Waugh, D.S. | Deposit date: | 2014-10-15 | Release date: | 2015-02-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural analysis of human dual-specificity phosphatase 22 complexed with a phosphotyrosine-like substrate. Acta Crystallogr.,Sect.F, 71, 2015
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2IF5
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![BU of 2if5 by Molmil](/molmil-images/mine/2if5) | Structure of the POZ domain of human LRF, a master regulator of oncogenesis | Descriptor: | PRASEODYMIUM ION, Zinc finger and BTB domain-containing protein 7A | Authors: | Schubot, F.D, Waugh, D.S, Tropea, J. | Deposit date: | 2006-09-20 | Release date: | 2006-11-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the POZ domain of human LRF, a master regulator of oncogenesis. Biochem.Biophys.Res.Commun., 351, 2006
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7UPZ
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![BU of 7upz by Molmil](/molmil-images/mine/7upz) | Structural basis for cell type specific DNA binding of C/EBPbeta: the case of cell cycle inhibitor p15INK4b promoter | Descriptor: | CCAAT/enhancer-binding protein beta, DNA (5'-D(*AP*TP*TP*CP*TP*TP*AP*AP*GP*AP*AP*AP*GP*AP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*TP*CP*TP*TP*TP*CP*TP*TP*AP*AP*GP*AP*A)-3') | Authors: | Lountos, G.T, Cherry, S, Tropea, J.E, Wlodawer, A, Miller, M. | Deposit date: | 2022-04-18 | Release date: | 2022-11-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.487 Å) | Cite: | Structural basis for cell type specific DNA binding of C/EBP beta : The case of cell cycle inhibitor p15INK4b promoter. J.Struct.Biol., 214, 2022
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1ORJ
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![BU of 1orj by Molmil](/molmil-images/mine/1orj) | FLAGELLAR EXPORT CHAPERONE | Descriptor: | flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-13 | Release date: | 2003-09-16 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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1ORY
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![BU of 1ory by Molmil](/molmil-images/mine/1ory) | FLAGELLAR EXPORT CHAPERONE IN COMPLEX WITH ITS COGNATE BINDING PARTNER | Descriptor: | Flagellin, PHOSPHATE ION, flagellar protein FliS | Authors: | Evdokimov, A.G, Phan, J, Tropea, J.E, Routzahn, K.M, Peters III, H.K, Pokross, M, Waugh, D.S. | Deposit date: | 2003-03-17 | Release date: | 2003-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Similar modes of polypeptide recognition by export chaperones in flagellar biosynthesis and type III secretion Nat.Struct.Biol., 10, 2003
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7UFY
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![BU of 7ufy by Molmil](/molmil-images/mine/7ufy) | Crystal structure of TDP1 complexed with compound XZ766 | Descriptor: | 1,2-ETHANEDIOL, Tyrosyl-DNA phosphodiesterase 1, [(4-{[(4S)-2,7-diphenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)methyl]phosphonic acid | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-03-23 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
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7UFZ
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![BU of 7ufz by Molmil](/molmil-images/mine/7ufz) | Crystal structure of TDP1 complexed with compound XZ768 | Descriptor: | (4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Wang, W, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R. | Deposit date: | 2022-03-23 | Release date: | 2023-04-12 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.559 Å) | Cite: | Phosphonic acid-containing inhibitors of tyrosyl-DNA phosphodiesterase 1. Front Chem, 10, 2022
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6W7L
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![BU of 6w7l by Molmil](/molmil-images/mine/6w7l) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ632p | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.856 Å) | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites Chemical Science, 12, 2021
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6W7K
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![BU of 6w7k by Molmil](/molmil-images/mine/6w7k) | Structure of Tdp1 catalytic domain in complex with inhibitor XZ634p | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Pommier, Y, Burke, T.R, Waugh, D.S. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Small molecule microarray identifies inhibitors of tyrosyl-DNA phosphodiesterase 1 that simultaneously access the catalytic pocket and two substrate binding sites Chemical Science, 12, 2021
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