5UBK
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![BU of 5ubk by Molmil](/molmil-images/mine/5ubk) | Inactive S1A/N269D-cpPvdQ mutant in complex with the pyoverdine precursor PVDIq reveals a specific binding pocket for the D-Tyr of this substrate | Descriptor: | Acyl-homoserine lactone acylase PvdQ, N-[(1R)-1-{(6S)-6-[(2-amino-2-oxoethyl)carbamoyl]-1,4,5,6-tetrahydropyrimidin-2-yl}-2-(4-hydroxyphenyl)ethyl]-N~2~-tetradecanoyl-L-glutamine | Authors: | Mascarenhas, R, Catlin, D, Wu, R, Clevenger, K, Fast, W, Liu, D. | Deposit date: | 2016-12-20 | Release date: | 2017-03-01 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Circular Permutation Reveals a Chromophore Precursor Binding Pocket of the Siderophore Tailoring Enzyme PvdQ To Be Published
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4D0W
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![BU of 4d0w by Molmil](/molmil-images/mine/4d0w) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-(5-chloro-2-methylphenyl)-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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5FR7
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![BU of 5fr7 by Molmil](/molmil-images/mine/5fr7) | Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family | Descriptor: | AMYR | Authors: | Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S. | Deposit date: | 2015-12-16 | Release date: | 2017-01-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions. PLoS ONE, 12, 2017
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4AE7
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![BU of 4ae7 by Molmil](/molmil-images/mine/4ae7) | Crystal structure of human THEM5 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 5 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
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5FRK
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![BU of 5frk by Molmil](/molmil-images/mine/5frk) | SeMet crystal structure of Erwinia amylovora AmyR amylovoran repressor, a member of the YbjN protein family | Descriptor: | AMYR | Authors: | Bartho, J.D, Bellini, D, Wuerges, J, Demitri, N, Walsh, M, Benini, S. | Deposit date: | 2015-12-18 | Release date: | 2017-02-15 | Last modified: | 2019-03-06 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | The crystal structure of Erwinia amylovora AmyR, a member of the YbjN protein family, shows similarity to type III secretion chaperones but suggests different cellular functions. PLoS ONE, 12, 2017
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4AE8
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![BU of 4ae8 by Molmil](/molmil-images/mine/4ae8) | Crystal structure of human THEM4 | Descriptor: | THIOESTERASE SUPERFAMILY MEMBER 4 | Authors: | Zhuravleva, E, Gut, H, Hynx, D, Marcellin, D, Bleck, C.K.E, Genoud, C, Cron, P, Keusch, J.J, Dummler, B, Degli Esposti, M, Hemmings, B.A. | Deposit date: | 2012-01-09 | Release date: | 2012-07-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.594 Å) | Cite: | Acyl Coenzyme a Thioesterase Them5/Acot15 is Involved in Cardiolipin Remodeling and Fatty Liver Development. Mol.Cell.Biol., 32, 2012
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1YA0
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![BU of 1ya0 by Molmil](/molmil-images/mine/1ya0) | Crystal structure of the N-terminal domain of human SMG7 | Descriptor: | SMG-7 transcript variant 2, SULFATE ION | Authors: | Fukuhara, N, Ebert, J, Unterholzner, L, Lindner, D, Izaurralde, E, Conti, E. | Deposit date: | 2004-12-17 | Release date: | 2005-03-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | SMG7 Is a 14-3-3-like Adaptor in the Nonsense-Mediated mRNA Decay Pathway. Mol.Cell, 17, 2005
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4D1S
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![BU of 4d1s by Molmil](/molmil-images/mine/4d1s) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Bertrand, J, Canevari, G, Fasolini, M, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-05-05 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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4D0X
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![BU of 4d0x by Molmil](/molmil-images/mine/4d0x) | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors | Descriptor: | 5-(2-aminopyrimidin-4-yl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide, GLYCEROL, TYROSINE-PROTEIN KINASE JAK2 | Authors: | Canevari, G, Fasolini, M, Bertrand, J, Brasca, M.G, Nesi, M, Avanzi, N, Ballinari, D, Bandiera, T, Bindi, S, Carenzi, D, Casero, D, Ceriani, L, Ciomei, M, Cirla, A, Colombo, M, Cribioli, S, Cristiani, C, Della Vedova, F, Fachin, G, Felder, E.R, Galvani, A, Isacchi, A, Mirizzi, D, Motto, I, Panzeri, A, Pesenti, E, Vianello, P, Gnocchi, P, Donati, D. | Deposit date: | 2014-04-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Pyrrole-3-Carboxamides as Potent and Selective Jak2 Inhibitors. Bioorg.Med.Chem., 22, 2014
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1Z3H
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![BU of 1z3h by Molmil](/molmil-images/mine/1z3h) | The exportin Cse1 in its cargo-free, cytoplasmic state | Descriptor: | Importin alpha re-exporter, MAGNESIUM ION | Authors: | Cook, A, Fernandez, E, Lindner, D, Ebert, J, Schlenstedt, G, Conti, E. | Deposit date: | 2005-03-12 | Release date: | 2005-05-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The structure of the nuclear export receptor cse1 in its cytosolic state reveals a closed conformation incompatible with cargo binding Mol.Cell, 18, 2005
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4B8T
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![BU of 4b8t by Molmil](/molmil-images/mine/4b8t) | RNA BINDING PROTEIN Solution structure of the third KH domain of KSRP in complex with the G-rich target sequence. | Descriptor: | 5'-R(*AP*GP*GP*GP*UP)-3', KH-TYPE SPLICING REGULATORY PROTEIN | Authors: | Nicastro, G, Garcia-Mayoral, M.F, Hollingworth, D, Kelly, G, Martin, S.R, Briata, P, Gherzi, R, Ramos, A. | Deposit date: | 2012-08-30 | Release date: | 2012-11-07 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Noncanonical G Recognition Mediates Ksrp Regulation of Let-7 Biogenesis Nat.Struct.Mol.Biol., 19, 2012
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4AZ3
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![BU of 4az3 by Molmil](/molmil-images/mine/4az3) | crystal structure of cathepsin a, complexed with 15a | Descriptor: | (3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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4AZ0
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![BU of 4az0 by Molmil](/molmil-images/mine/4az0) | crystal structure of cathepsin a, complexed with 8a. | Descriptor: | (S)-3-{[1-(2-Fluoro-phenyl)-5-hydroxy-1H-pyrazole-3-carbonyl]-amino}-3-o-tolyl-propionic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, ... | Authors: | Ruf, S, Buning, C, Schreuder, H, Horstick, G, Linz, W, Olpp, T, Pernerstorfer, J, Hiss, K, Kroll, K, Kannt, A, Kohlmann, M, Linz, D, Huebschle, T, Ruetten, H, Wirth, K, Schmidt, T, Sadowski, T. | Deposit date: | 2012-06-22 | Release date: | 2012-09-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Novel Beta-Amino Acid Derivatives as Inhibitors of Cathepsin A. J.Med.Chem., 55, 2012
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3WPO
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![BU of 3wpo by Molmil](/molmil-images/mine/3wpo) | Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1i) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-14 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.397 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WQA
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![BU of 3wqa by Molmil](/molmil-images/mine/3wqa) | Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1ii) | Descriptor: | CHLORIDE ION, NICKEL (II) ION, PHOSPHATE ION, ... | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-24 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WPR
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![BU of 3wpr by Molmil](/molmil-images/mine/3wpr) | Acinetobacter sp. Tol 5 AtaA N-terminal half of C-terminal stalk fused to GCN4 adaptors (CstalkN) | Descriptor: | Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-15 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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2MPW
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![BU of 2mpw by Molmil](/molmil-images/mine/2mpw) | Solution structure of the LysM region of the E. coli Intimin periplasmic domain | Descriptor: | Intimin | Authors: | Coles, M, Chaubey, M, Leo, J.C, Linke, D, Schuetz, M.C, Goetz, F, Autenrieth, I.B. | Deposit date: | 2014-06-05 | Release date: | 2014-11-12 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Intimin periplasmic domain mediates dimerisation and binding to peptidoglycan. Mol.Microbiol., 95, 2015
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2N8L
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![BU of 2n8l by Molmil](/molmil-images/mine/2n8l) | |
2N8M
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![BU of 2n8m by Molmil](/molmil-images/mine/2n8m) | |
4CFE
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![BU of 4cfe by Molmil](/molmil-images/mine/4cfe) | Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991) | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-14 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators. Nat.Commun., 4, 2013
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5W72
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![BU of 5w72 by Molmil](/molmil-images/mine/5w72) | |
3TE5
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![BU of 3te5 by Molmil](/molmil-images/mine/3te5) | structure of the regulatory fragment of sacchromyces cerevisiae ampk in complex with NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Carbon catabolite-derepressing protein kinase, Nuclear protein SNF4, ... | Authors: | Mayer, F.V, Heath, R, Underwood, E, Sanders, M.J, Carmena, D, McCartney, R, Leiper, F.C, Xiao, B, Jing, C, Walker, P.A, Haire, L.F, Ogrodowicz, R, Martin, S.R, Schmidt, M.C, Gamblin, S.J, Carling, D. | Deposit date: | 2011-08-12 | Release date: | 2011-11-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | ADP Regulates SNF1, the Saccharomyces cerevisiae Homolog of AMP-Activated Protein Kinase. Cell Metab, 14, 2011
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3WP8
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![BU of 3wp8 by Molmil](/molmil-images/mine/3wp8) | Acinetobacter sp. Tol 5 AtaA C-terminal Ylhead fused to GCN4 adaptors (Chead) | Descriptor: | Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-10 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WPA
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![BU of 3wpa by Molmil](/molmil-images/mine/3wpa) | Acinetobacter sp. Tol 5 AtaA C-terminal stalk_FL fused to GCN4 adaptors (CstalkFL) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-10 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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3WPP
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![BU of 3wpp by Molmil](/molmil-images/mine/3wpp) | Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii) | Descriptor: | CHLORIDE ION, Trimeric autotransporter adhesin | Authors: | Koiwai, K, Hartmann, M.D, Yoshimoto, S, Nur 'Izzah, N, Suzuki, A, Linke, D, Lupas, A.N, Hori, K. | Deposit date: | 2014-01-15 | Release date: | 2015-03-04 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.952 Å) | Cite: | Structural Basis for Toughness and Flexibility in the C-terminal Passenger Domain of an Acinetobacter Trimeric Autotransporter Adhesin. J.Biol.Chem., 291, 2016
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