5XA4
 
 | | Crystal Structure of HasAp with Fe-5,15-Diazaporphyrin | | Descriptor: | 10,20-Diphenyl-5,15-diaza-porphyrin containing FE, Heme acquisition protein HasAp | | Authors: | Shoji, O, Uehara, H, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-03-10 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the Heme Acquisition Protein HasA with Iron(III)-5,15-Diphenylporphyrin and Derivatives Thereof as an Artificial Prosthetic Group
Angew. Chem. Int. Ed. Engl., 56, 2017
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5XA3
 | | Crystal Structure of P450BM3 with Benzyloxycarbonyl-L-prolyl-L-phenylalanine | | Descriptor: | Bifunctional cytochrome P450/NADPH-P450 reductase, DIMETHYL SULFOXIDE, PHENYLALANINE, ... | | Authors: | Shoji, O, Yanagisawa, S, Stanfield, J.K, Suzuki, K, Kasai, C, Cong, Z, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-03-10 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Direct Hydroxylation of Benzene to Phenol by Cytochrome P450BM3 Triggered by Amino Acid Derivatives.
Angew. Chem. Int. Ed. Engl., 56, 2017
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3VOO
 | | Cytochrome P450SP alpha (CYP152B1) mutant A245E | | Descriptor: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2012-01-31 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
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3VNO
 | | Cytochrome P450SP alpha (CYP152B1) mutant R241E | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2012-01-17 | | Release date: | 2013-02-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
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3VTJ
 | | Cytochrome P450SP alpha (CYP152B1) mutant A245H | | Descriptor: | Fatty acid alpha-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Fujishiro, T, Shoji, O, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2012-05-30 | | Release date: | 2013-06-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | A substrate-binding-state mimic of H2O2-dependent cytochrome P450 produced by one-point mutagenesis and peroxygenation of non-native substrates
Catalysis Science And Technology, 6, 2016
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6JLV
 | | Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-03-07 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JMH
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-03-10 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JS8
 | | Structure of the CYP102A1 Haem Domain with N-Dehydroabietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-04-07 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5ZLH
 | | Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | | Authors: | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | | Deposit date: | 2018-03-28 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
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6K58
 | | Structure of the CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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6JVC
 | | Structure of the Cobalt Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | | Authors: | Stanfield, J.K, Matsumoto, A, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | | Deposit date: | 2019-04-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5ZIS
 | | Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | | Authors: | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | | Deposit date: | 2018-03-17 | | Release date: | 2018-08-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A.
Chem. Commun. (Camb.), 54, 2018
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1WTG
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-biphenylalanine-Gln-p-aminobenzamidine | | Descriptor: | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO-PROPIONYLAMINO)-PENTANEDIOIC ACID 5-AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE), CALCIUM ION, Coagulation factor VII, ... | | Authors: | Kadono, S, Sakamoto, S, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Kitazawa, K, Yoshihashi, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Kodama, M, Haramura, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-23 | | Release date: | 2005-11-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel interactions of large P3 moiety and small P4 moiety in the binding of the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 326, 2005
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6AJ6
 | | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+ | | Descriptor: | Isocitrate dehydrogenase [NADP], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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2Z5P
 | | Apo-Fr with low content of Pd ions | | Descriptor: | CADMIUM ION, Ferritin light chain, GLYCEROL, ... | | Authors: | Ueno, T, Hirata, K, Abe, M, Suzuki, M, Abe, S, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y. | | Deposit date: | 2007-07-16 | | Release date: | 2008-07-29 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Process of accumulation of metal ions on the interior surface of apo-ferritin: crystal structures of a series of apo-ferritins containing variable quantities of Pd(II) ions.
J.Am.Chem.Soc., 131, 2009
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6AJA
 | | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADPH, alpha-ketoglutarate and ca2+ | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, GLYCEROL, ... | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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6AJB
 | | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADH, alpha-ketoglutarate and ca2+ | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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1WUN
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-Trp-Gln-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-12-08 | | Release date: | 2005-12-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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5AON
 | | Crystal structure of the conserved N-terminal domain of Pex14 from Trypanosoma brucei | | Descriptor: | PEROXIN 14, SULFATE ION | | Authors: | Obita, T, Sugawara, Y, Mizuguchi, M, Watanabe, Y, Kawaguchi, K, Imanaka, T. | | Deposit date: | 2015-09-11 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.646 Å) | | Cite: | Characterization of the Interaction between Trypanosoma Brucei Pex5P and its Receptor Pex14P.
FEBS Lett., 590, 2016
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1WSS
 | | Human Factor Viia-Tissue Factor in Complex with peptide-mimetic inhibitor that has two charged groups in P2 and P4 | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-[(3-CARBOXYBENZYL)SULFONYL]ISOLEUCYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-5-IMINOORNITHINAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-Eda, M, Yabuta, N, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-11-10 | | Release date: | 2005-11-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human factor VIIa/tissue factor in complex with a peptide-mimetic inhibitor: high selectivity against thrombin by introducing two charged groups in P2 and P4.
Acta Crystallogr.,Sect.F, 61, 2005
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1WV7
 | | Human Factor Viia-Tissue Factor Complexed with ethylsulfonamide-D-5-propoxy-Trp-Gln-p-aminobenzamidine | | Descriptor: | CALCIUM ION, Coagulation factor VII, N-(ETHYLSULFONYL)-5-PROPOXY-L-TRYPTOPHYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}-L-GLUTAMAMIDE, ... | | Authors: | Kadono, S, Sakamoto, A, Kikuchi, Y, Oh-eda, M, Yabuta, N, Yoshihashi, K, Kitazawa, T, Suzuki, T, Koga, T, Hattori, K, Shiraishi, T, Haramura, M, Kodama, H, Ono, Y, Esaki, T, Sato, H, Watanabe, Y, Itoh, S, Ohta, M, Kozono, T. | | Deposit date: | 2004-12-11 | | Release date: | 2005-12-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-based design of P3 moieties in the peptide mimetic factor VIIa inhibitor
Biochem.Biophys.Res.Commun., 327, 2005
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6AJ8
 | | Crystal structure of Trypanosoma brucei glycosomal isocitrate dehydrogenase in complex with NADP+, alpha-ketoglutarate and ca2+ | | Descriptor: | 2-OXOGLUTARIC ACID, CALCIUM ION, Isocitrate dehydrogenase [NADP], ... | | Authors: | Wang, X, Inaoka, D.K, Shiba, T, Balogun, E.O, Ziebart, N, Allman, S, Watanabe, Y, Nozaki, T, Boshart, M, Bringaud, F, Harada, S, Kita, K. | | Deposit date: | 2018-08-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Biochemical characterization of a novel Trypanosoma brucei glycosomal isocitrate dehydrogenase with dual coenzyme specificity (NADP+/NAD+)
To Be Published
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3AF8
 | | Crystal Structure of Pd(ally)/apo-C126AFr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ... | | Authors: | Abe, S, Hikage, T, Watanabe, Y, Kitagawa, S, Ueno, T. | | Deposit date: | 2010-02-24 | | Release date: | 2010-08-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Mechanism of Accumulation and Incorporation of Organometallic Pd Complexes into the Protein Nanocage of apo-Ferritin.
Inorg.Chem., 49, 2010
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5YHJ
 | | Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid | | Descriptor: | Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2017-09-28 | | Release date: | 2017-12-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids
Catalysis Science And Technology, 2017
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6J9Q
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with AMP-PNP. | | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Reaction mechanism of the reverse reaction of African human trypanosomes glycerol kinase.
To Be Published
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