3ZXN
 
 | | Moorella thermoacetica RsbS S58E | | 分子名称: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, THIOCYANATE ION | | 著者 | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | | 登録日 | 2011-08-12 | | 公開日 | 2012-02-22 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling.
Structure, 20, 2012
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4CD4
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG | | 分子名称: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | 著者 | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | 登録日 | 2013-10-30 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4C36
 | | PKA-S6K1 Chimera with compound 15e (CCT147581) bound | | 分子名称: | 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | 登録日 | 2013-08-21 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4C37
 | | PKA-S6K1 Chimera with compound 21a (CCT196539) bound | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | 登録日 | 2013-08-21 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4CD6
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG | | 分子名称: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | 著者 | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | 登録日 | 2013-10-30 | | 公開日 | 2014-04-02 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4C7H
 | | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-NH2) molecule | | 分子名称: | COENZYME A, DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | 著者 | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | | 登録日 | 2013-09-20 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4C68
 | | Plasmodium vivax N-myristoyltransferase in complex with a peptidomimetic inhibitor | | 分子名称: | 2-oxopentadecyl-CoA, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | | 登録日 | 2013-09-17 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4B12
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 23) | | 分子名称: | 1-[3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-yl]-3-phenylpropan-1-one, 2-oxopentadecyl-CoA, CHLORIDE ION, ... | | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2012-07-06 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
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4CYQ
 | | Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45). | | 分子名称: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide, ... | | 著者 | Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2014-04-14 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4C10
 | | Cryo-EM reconstruction of empty enterovirus 71 in complex with a neutralizing antibody E19 | | 分子名称: | CHLORIDE ION, EV19 5 C1-6 F1 C11, SODIUM ION, ... | | 著者 | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | | 登録日 | 2013-08-08 | | 公開日 | 2014-02-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (13 Å) | | 主引用文献 | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4C35
 | | PKA-S6K1 Chimera with compound 1 (NU1085) bound | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | 登録日 | 2013-08-21 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4CAF
 | | Plasmodium vivax N-myristoyltransferase in complex with a benzothiophene inhibitor (compound 34a) | | 分子名称: | 2-oxopentadecyl-CoA, 4-[(2-{5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl}-1-benzothiophen-3-yl)oxy]piperidine, AMMONIUM ION, ... | | 著者 | Rackham, M.D, Brannigan, J.A, Rangachari, K, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2013-10-08 | | 公開日 | 2014-04-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design and Synthesis of High Affinity Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferases Directed by Ligand Efficiency Dependent Lipophilicity (Lelp).
J.Med.Chem., 57, 2014
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4C0U
 | | Cryo-EM reconstruction of enterovirus 71 in complex with a neutralizing antibody E18 | | 分子名称: | FAB EV18 4 D6-1 F1 G9, VP1, VP2, ... | | 著者 | Plevka, P, Perera, R, Cardosa, J, Suksatu, A, Kuhn, R.J, Rossmann, M.G. | | 登録日 | 2013-08-08 | | 公開日 | 2014-02-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (10 Å) | | 主引用文献 | Neutralizing Antibodies Can Initiate Genome Release from Human Enterovirus 71.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4C33
 | | PKA-S6K1 Chimera Apo | | 分子名称: | CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA | | 著者 | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | | 登録日 | 2013-08-21 | | 公開日 | 2013-10-09 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design.
Oncotarget, 4, 2013
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4C7I
 | | Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule | | 分子名称: | DIMETHYL SULFOXIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 著者 | Olaleye, T.O, Brannigan, J.A, Goncalves, V, Roberts, S.M, Leatherbarrow, R.J, Wilkinson, A.J, Tate, E.W. | | 登録日 | 2013-09-20 | | 公開日 | 2014-09-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Peptidomimetic Inhibitors of N-Myristoyltransferase from Human Malaria and Leishmaniasis Parasites.
Org.Biomol.Chem., 12, 2014
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4D4B
 | | The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with MSMSMe | | 分子名称: | 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-methyl 1,6-dithio-alpha-D-mannopyranoside | | 著者 | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | | 登録日 | 2014-10-27 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
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4CYN
 | | Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor (2b) | | 分子名称: | (3R)-3-amino-4-(4-chlorophenyl)-1-[(3R,4S)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, ... | | 著者 | Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W. | | 登録日 | 2014-04-14 | | 公開日 | 2014-10-01 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors.
J.Med.Chem., 57, 2014
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4D4C
 | | The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManDMJ | | 分子名称: | 1,2-ETHANEDIOL, 1-DEOXYMANNOJIRIMYCIN, ALPHA-1,6-MANNANASE, ... | | 著者 | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | | 登録日 | 2014-10-27 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
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4D4D
 | | The catalytic domain, BcGH76, of Bacillus circulans Aman6 in complex with 1,6-ManIFG | | 分子名称: | 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ALPHA-1,6-MANNANASE, ... | | 著者 | Thompson, A.J, Speciale, G, Iglesias-Fernandez, J, Hakki, Z, Belz, T, Cartmell, A, Spears, R.J, Stepper, J, Gilbert, H.J, Rovira, C, Williams, S.J, Davies, G.J. | | 登録日 | 2014-10-27 | | 公開日 | 2015-03-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Evidence for a Boat Conformation at the Transition State of Gh76 Alpha-1,6-Mannanases- Key Enzymes in Bacterial and Fungal Mannoprotein Metabolism
Angew.Chem.Int.Ed.Engl., 54, 2015
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4CZS
 | | Discovery of Glycomimetic Ligands via Genetically-encoded Library of Phage displaying Mannose-peptides | | 分子名称: | 2-hydroxyethyl alpha-D-mannopyranoside, CALCIUM ION, Concanavalin V, ... | | 著者 | Ng, S, Lin, E, Tjhung, K.F, Gerlits, O, Sood, A, Kasper, B, Deng, L, Kitov, P.I, Matochko, W.L, Paschal, B.M, Noren, C.J, Klassen, J, Mahal, L.K, Coates, L, Woods, R.J, Derda, R. | | 登録日 | 2014-04-22 | | 公開日 | 2015-04-22 | | 最終更新日 | 2022-12-07 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Genetically-Encoded Fragment-Based Discovery of Glycopeptide Ligands for Carbohydrate-Binding Proteins.
J.Am.Chem.Soc., 137, 2015
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2HYD
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6ZBV
 | | Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | | 分子名称: | Sodium- and chloride-dependent glycine transporter 1,Sodium- and chloride-dependent glycine transporter 1, Sybody Sb_GlyT1#7, [5-fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | | 著者 | Shahsavar, A, Stohler, P, Bourenkov, G, Zimmermann, I, Siegrist, M, Guba, W, Pinard, E, Sinning, S, Seeger, M.A, Schneider, T.R, Dawson, R.J.P, Nissen, P. | | 登録日 | 2020-06-09 | | 公開日 | 2021-03-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Structural insights into the inhibition of glycine reuptake.
Nature, 591, 2021
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6YV3
 | | Structure of recombinant human beta-glucocerebrosidase in complex with galacto-configured cyclophellitol aziridine inhibitor | | 分子名称: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2020-04-27 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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6YX8
 | | The structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the C2221 crystal form. | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | | 著者 | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | | 登録日 | 2020-04-30 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.831 Å) | | 主引用文献 | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13
To Be Published
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6YX7
 | | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the P21212 crystal form. | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | | 著者 | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | | 登録日 | 2020-04-30 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13
To Be Published
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