4G63
| Crystal structure of cytosolic IMP-GMP specific 5'-nucleotidase (lpg0095) in complex with phosphate ions from Legionella pneumophila, Northeast Structural Genomics Consortium Target LgR1 | Descriptor: | Cytosolic IMP-GMP specific 5'-nucleotidase, PHOSPHATE ION | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-07-18 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Allosteric regulation and substrate activation in cytosolic nucleotidase II from Legionella pneumophila. Febs J., 281, 2014
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1ON0
| Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR144 | Descriptor: | CHLORIDE ION, SULFATE ION, YycN protein | Authors: | Forouhar, F, Shen, J, Kuzin, A, Chiang, Y, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-26 | Release date: | 2003-03-11 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of Putative Acetyltransferase (YycN) from Bacillus subtilis To be Published
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1NY1
| CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127. | Descriptor: | Probable polysaccharide deacetylase pdaA | Authors: | Forouhar, F, Edstrom, W, Khan, J, Ma, L, Chiang, Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Polysaccharide Deacetylase (PDAA_BACSU) from B. Subtilis (Pdaa_Bacsu) Northeast Structural Genomics Research Consortium (Nesg) Target Sr127 To be Published
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1NXU
| CRYSTAL STRUCTURE OF E. COLI HYPOTHETICAL OXIDOREDUCTASE YIAK NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82. | Descriptor: | Hypothetical oxidoreductase yiaK, SULFATE ION | Authors: | Forouhar, F, Lee, I, Benach, J, Kulkarni, K, Xiao, R, Acton, T.B, Shastry, R, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-03-11 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Novel NAD-binding Protein Revealed by the Crystal Structure of 2,3-Diketo-L-gulonate Reductase (YiaK). J.Biol.Chem., 279, 2004
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1NXZ
| X-Ray Crystal Structure of Protein yggj_haein of Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR73. | Descriptor: | Hypothetical protein HI0303 | Authors: | Forouhar, F, Shen, J, Xiao, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2003-02-11 | Release date: | 2003-03-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Functional assignment based on structural analysis: crystal structure of the yggJ protein (HI0303) of Haemophilus influenzae reveals an RNA methyltransferase with a deep trefoil knot. Proteins, 53, 2003
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7U4L
| Crystal structure of human GPX4-U46C in complex with MAC-5576 | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2024-10-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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7U4N
| Crystal structure of human GPX4-U46C in complex with RSL3 | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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7U4I
| Crystal structure of human GPX4-U46C-R152H in complex with CDS9 | Descriptor: | 2-bromo-N-[(thiophen-2-yl)methyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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4KSA
| Crystal Structure of Malonyl-CoA decarboxylase from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR127 | Descriptor: | MAGNESIUM ION, Malonyl-CoA decarboxylase | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Patel, D.J, Ciccosanti, C, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-17 | Release date: | 2013-06-19 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. Structure, 21, 2013
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4KSF
| Crystal Structure of Malonyl-CoA decarboxylase from Agrobacterium vitis, Northeast Structural Genomics Consortium Target RiR35 | Descriptor: | CHLORIDE ION, Malonyl-CoA decarboxylase, NICKEL (II) ION | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-17 | Release date: | 2013-06-19 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. Structure, 21, 2013
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4JC0
| Crystal structure of Thermotoga maritima holo RimO in complex with pentasulfide, Northeast Structural Genomics Consortium Target VR77 | Descriptor: | IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS, Ribosomal protein S12 methylthiotransferase RimO | Authors: | Forouhar, F, Hussain, M, Seetharaman, J, Fang, Y, Chen, C.X, Cunningham, K, Conover, K, Ma, L.-C, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-20 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Two Fe-S clusters catalyze sulfur insertion by radical-SAM methylthiotransferases. Nat.Chem.Biol., 9, 2013
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4KS9
| Crystal Structure of Malonyl-CoA decarboxylase (Rmet_2797) from Cupriavidus metallidurans, Northeast Structural Genomics Consortium Target CrR76 | Descriptor: | MAGNESIUM ION, Malonyl-CoA decarboxylase | Authors: | Forouhar, F, Tran, T.H, Lew, S, Seetharaman, J, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-05-17 | Release date: | 2013-06-19 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of malonyl-coenzyme a decarboxylase provide insights into its catalytic mechanism and disease-causing mutations. Structure, 21, 2013
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4J9T
| Crystal structure of a putative, de novo designed unnatural amino acid dependent metalloprotein, northeast structural genomics consortium target OR61 | Descriptor: | ARSENIC, GLYCEROL, designed unnatural amino acid dependent metalloprotein | Authors: | Forouhar, F, Lew, S, Seetharaman, J, Mills, J.H, Khare, S.D, Everett, J.K, Baker, D, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-17 | Release date: | 2013-03-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Computational design of an unnatural amino Acid dependent metalloprotein with atomic level accuracy. J.Am.Chem.Soc., 135, 2013
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3BID
| Crystal structure of the NMB1088 protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR91 | Descriptor: | UPF0339 protein NMB1088 | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Mao, L, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-30 | Release date: | 2007-12-18 | Last modified: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the NMB1088 protein from Neisseria meningitidis. To be Published
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3BIJ
| Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13 | Descriptor: | Uncharacterized protein GSU0716 | Authors: | Forouhar, F, Neely, H, Su, M, Seetharaman, J, Benach, J, Conover, K, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-11-30 | Release date: | 2007-12-11 | Last modified: | 2024-10-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of protein GSU0716 from Geobacter sulfurreducens. To be Published
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7TIY
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIZ
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63 | Descriptor: | (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7U4K
| Crystal structure of human GPX4-U46C-R152H in complex with ML162 | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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7U4M
| Crystal structure of human GPX4-U46C in complex with LOC1886 | Descriptor: | 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2022-12-28 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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7U4J
| Crystal structure of human GPX4-U46C-R152H in complex with TMT10 | Descriptor: | Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide | Authors: | Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R. | Deposit date: | 2022-02-28 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Small-molecule allosteric inhibitors of GPX4. Cell Chem Biol, 29, 2022
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2QGV
| Crystal structure of hydrogenase-1 operon protein hyaE from Shigella flexneri. Northeast Structural Genomics Consortium Target SfR170 | Descriptor: | Hydrogenase-1 operon protein hyaE | Authors: | Forouhar, F, Su, M, Seetharaman, J, Benach, J, Wang, D, Fang, Y, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-06-29 | Release date: | 2007-07-17 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of hydrogenase-1 operon protein hyaE from Shigella flexneri. To be Published
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2RAQ
| Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus. Northeast Structural Genomics Consortium target TT205 | Descriptor: | CALCIUM ION, Conserved protein MTH889 | Authors: | Forouhar, F, Su, M, Xu, X, Seetharaman, J, Mao, L, Xiao, R, Ma, L.-C, Conover, K, Baran, M.C, Acton, T.B, Montelione, G.T, Arrowsmith, C.H, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2007-09-17 | Release date: | 2007-10-16 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (3.11 Å) | Cite: | Crystal structure of the MTH889 protein from Methanothermobacter thermautotrophicus. To be Published
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7TIV
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIW
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54 | Descriptor: | (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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7TIU
| Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46 | Descriptor: | (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ... | Authors: | Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R. | Deposit date: | 2022-01-14 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19. Nat Commun, 13, 2022
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