1DGG
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![BU of 1dgg by Molmil](/molmil-images/mine/1dgg) | HUMAN ERYTHROCYTE CATALSE CYANIDE COMPLEX | Descriptor: | CATALASE, CYANIDE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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1DGH
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![BU of 1dgh by Molmil](/molmil-images/mine/1dgh) | HUMAN ERYTHROCYTE CATALASE 3-AMINO-1,2,4-TRIAZOLE COMPLEX | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROTEIN (CATALASE), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Putnam, C.D, Arvai, A.S, Bourne, Y, Tainer, J.A. | Deposit date: | 1999-11-24 | Release date: | 2000-02-17 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Active and inhibited human catalase structures: ligand and NADPH binding and catalytic mechanism. J.Mol.Biol., 296, 2000
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1SOS
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![BU of 1sos by Molmil](/molmil-images/mine/1sos) | ATOMIC STRUCTURES OF WILD-TYPE AND THERMOSTABLE MUTANT RECOMBINANT HUMAN CU, ZN SUPEROXIDE DISMUTASE | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE, ... | Authors: | Parge, H.E, Hallewell, R.A, Tainer, J.A. | Deposit date: | 1992-02-11 | Release date: | 1993-04-15 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Atomic structures of wild-type and thermostable mutant recombinant human Cu,Zn superoxide dismutase. Proc.Natl.Acad.Sci.USA, 89, 1992
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1IN4
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![BU of 1in4 by Molmil](/molmil-images/mine/1in4) | |
1IN8
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![BU of 1in8 by Molmil](/molmil-images/mine/1in8) | THERMOTOGA MARITIMA RUVB T158V | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HOLLIDAY JUNCTION DNA HELICASE RUVB | Authors: | Putnam, C.D, Clancy, S.B, Tsuruta, H, Wetmur, J.G, Tainer, J.A. | Deposit date: | 2001-05-12 | Release date: | 2001-08-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and mechanism of the RuvB Holliday junction branch migration motor. J.Mol.Biol., 311, 2001
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1SSP
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![BU of 1ssp by Molmil](/molmil-images/mine/1ssp) | WILD-TYPE URACIL-DNA GLYCOSYLASE BOUND TO URACIL-CONTAINING DNA | Descriptor: | 5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*(D1P)P*AP*TP*CP*TP*T)-3', URACIL, ... | Authors: | Parikh, S.S, Mol, C.D, Slupphaug, G, Bharati, S, Krokan, H.E, Tainer, J.A. | Deposit date: | 1999-04-28 | Release date: | 1999-05-06 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA. EMBO J., 17, 1998
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1T39
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![BU of 1t39 by Molmil](/molmil-images/mine/1t39) | HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALENTLY CROSSLINKED TO DNA | Descriptor: | 5'-D(*GP*CP*CP*AP*TP*GP*(E1X)P*CP*TP*AP*GP*TP*A)-3', 5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3', Methylated-DNA--protein-cysteine methyltransferase | Authors: | Daniels, D.S, Woo, T.T, Luu, K.X, Noll, D.M, Clarke, N.D, Pegg, A.E, Tainer, J.A. | Deposit date: | 2004-04-25 | Release date: | 2004-07-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DNA binding and nucleotide flipping by the human DNA repair protein AGT. Nat.Struct.Mol.Biol., 11, 2004
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3EBF
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![BU of 3ebf by Molmil](/molmil-images/mine/3ebf) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (3R)-3-[(1,2,3,4-tetrahydroisoquinolin-7-yloxy)methyl]-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E68
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![BU of 3e68 by Molmil](/molmil-images/mine/3e68) | Structure of murine INOS oxygenase domain with inhibitor AR-C130232 | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-14 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E7M
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![BU of 3e7m by Molmil](/molmil-images/mine/3e7m) | Structure of murine iNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E7S
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![BU of 3e7s by Molmil](/molmil-images/mine/3e7s) | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | Descriptor: | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, HEME C, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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1II8
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![BU of 1ii8 by Molmil](/molmil-images/mine/1ii8) | Crystal structure of the P. furiosus Rad50 ATPase domain | Descriptor: | PHOSPHATE ION, Rad50 ABC-ATPase | Authors: | Hopfner, K.-P, Karcher, A, Craig, L, Woo, T.T, Carney, J.P, Tainer, J.A. | Deposit date: | 2001-04-20 | Release date: | 2001-05-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Structural biochemistry and interaction architecture of the DNA double-strand break repair Mre11 nuclease and Rad50-ATPase. Cell(Cambridge,Mass.), 105, 2001
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3EJ8
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![BU of 3ej8 by Molmil](/molmil-images/mine/3ej8) | Structure of double mutant of human iNOS oxygenase domain with bound immidazole | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, HEME C, IMIDAZOLE, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-09-17 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E6O
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![BU of 3e6o by Molmil](/molmil-images/mine/3e6o) | Structure of murine INOS oxygenase domain with inhibitor AR-C124355 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-[2-(4-AMINO-5,8-DIFLUORO-1,2-DIHYDROQUINAZOLIN-2-YL)ETHYL]-3-FURAMIDE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-15 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3EAH
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![BU of 3eah by Molmil](/molmil-images/mine/3eah) | Structure of inhibited human eNOS oxygenase domain | Descriptor: | (3S,5E)-3-propyl-3,4-dihydrothieno[2,3-f][1,4]oxazepin-5(2H)-imine, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-25 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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3E7G
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![BU of 3e7g by Molmil](/molmil-images/mine/3e7g) | Structure of human INOSOX with inhibitor AR-C95791 | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-1-CARBOXYLATE, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-18 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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8D3G
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![BU of 8d3g by Molmil](/molmil-images/mine/8d3g) | |
1BUH
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![BU of 1buh by Molmil](/molmil-images/mine/1buh) | |
6T78
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![BU of 6t78 by Molmil](/molmil-images/mine/6t78) | Structure of human Sox11 transcription factor in complex with a short DNA fragment | Descriptor: | DNA (5'-D(*AP*AP*CP*AP*AP*AP*AP*TP*AP*AP*AP*CP*AP*AP*TP*A)-3'), DNA (5'-D(*TP*AP*TP*TP*GP*TP*TP*TP*AP*TP*TP*TP*TP*GP*TP*T)-3'), Transcription factor SOX-11 | Authors: | Dodonova, S.O, Zhu, F, Dienemann, C, Taipale, J, Cramer, P. | Deposit date: | 2019-10-21 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.504 Å) | Cite: | Nucleosome-bound SOX2 and SOX11 structures elucidate pioneer factor function. Nature, 580, 2020
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1AY2
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![BU of 1ay2 by Molmil](/molmil-images/mine/1ay2) | STRUCTURE OF THE FIBER-FORMING PROTEIN PILIN AT 2.6 ANGSTROMS RESOLUTION | Descriptor: | HEPTANE-1,2,3-TRIOL, PLATINUM (II) ION, TYPE 4 PILIN, ... | Authors: | Forest, K.T, Parge, H.E, Tainer, J.A. | Deposit date: | 1997-11-13 | Release date: | 1998-04-29 | Last modified: | 2023-02-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the fibre-forming protein pilin at 2.6 A resolution. Nature, 378, 1995
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1BIX
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![BU of 1bix by Molmil](/molmil-images/mine/1bix) | THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES | Descriptor: | AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION | Authors: | Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S. | Deposit date: | 1998-06-19 | Release date: | 1999-06-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites. EMBO J., 16, 1997
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8D3H
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![BU of 8d3h by Molmil](/molmil-images/mine/8d3h) | |
1B43
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![BU of 1b43 by Molmil](/molmil-images/mine/1b43) | FEN-1 FROM P. FURIOSUS | Descriptor: | PROTEIN (FEN-1) | Authors: | Hosfield, D.J, Mol, C.D, Shen, B, Tainer, J.A. | Deposit date: | 1999-01-05 | Release date: | 2000-01-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of the DNA repair and replication endonuclease and exonuclease FEN-1: coupling DNA and PCNA binding to FEN-1 activity. Cell(Cambridge,Mass.), 95, 1998
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3HVC
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![BU of 3hvc by Molmil](/molmil-images/mine/3hvc) | Crystal structure of human p38alpha MAP kinase | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | Perry, J.J, Tainer, J.A. | Deposit date: | 2009-06-15 | Release date: | 2009-06-30 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
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3EBD
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![BU of 3ebd by Molmil](/molmil-images/mine/3ebd) | Structure of inhibited murine iNOS oxygenase domain | Descriptor: | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stuehr, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2008-08-27 | Release date: | 2008-10-07 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Nat.Chem.Biol., 4, 2008
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