8B7V
 
 | | Automated simulation-based refinement of maltoporin into a cryo-EM density | | 分子名称: | Maltoporin | | 著者 | Yvonnesdotter, L, Rovsnik, U, Blau, C, Lycksell, M, Howard, R.J, Lindahl, E. | | 登録日 | 2022-10-03 | | 公開日 | 2023-06-21 | | 最終更新日 | 2023-07-26 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Automated simulation-based membrane protein refinement into cryo-EM data.
Biophys.J., 122, 2023
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3R3L
 | | Structure of NP protein from Lassa AV strain | | 分子名称: | MANGANESE (II) ION, Nucleoprotein, ZINC ION | | 著者 | Perbandt, M, Brunotte, L, Gunther, S, Betzel, C. | | 登録日 | 2011-03-16 | | 公開日 | 2011-09-14 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.449 Å) | | 主引用文献 | Structure of the Lassa virus nucleoprotein revealed by X-ray crystallography, small-angle X-ray scattering, and electron microscopy.
J.Biol.Chem., 286, 2011
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4AC3
 | | S.pneumoniae GlmU in complex with an antibacterial inhibitor | | 分子名称: | BIFUNCTIONAL PROTEIN GLMU, N-{2,4-DIMETHOXY-5-[(2-PIPERIDIN-1-YLBENZYL)sulfamoyl]phenyl}acetamide, SULFATE ION | | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | | 登録日 | 2011-12-12 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4AA7
 | | E.coli GlmU in complex with an antibacterial inhibitor | | 分子名称: | BIFUNCTIONAL PROTEIN GLMU, N-(2,4-dimethoxy-5-{[(2R)-2-methyl-2,3-dihydro-1H-indol-1-yl]sulfonyl}phenyl)acetamide, SULFATE ION | | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | | 登録日 | 2011-11-30 | | 公開日 | 2012-08-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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4AAW
 | | S.pneumoniae GlmU in complex with an antibacterial inhibitor | | 分子名称: | 4-{[1-(2-{[({5-[(3-carboxypropanoyl)amino]-2,4-dimethoxyphenyl}sulfonyl)amino]methyl}phenyl)piperidin-4-yl]methoxy}-4-oxobutanoic acid, BIFUNCTIONAL PROTEIN GLMU, SULFATE ION | | 著者 | Otterbein, L, Breed, J, Ogg, D.J. | | 登録日 | 2011-12-05 | | 公開日 | 2012-02-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitors of Acetyltransferase Domain of N-Acetylglucosamine-1-Phosphate-Uridyltransferase/ Glucosamine-1-Phosphate-Acetyltransferase (Glmu). Part 1: Hit to Lead Evaluation of a Novel Arylsulfonamide Series.
Bioorg.Med.Chem.Lett., 22, 2012
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1YWJ
 | | Structure of the FBP11WW1 domain | | 分子名称: | Formin-binding protein 3 | | 著者 | Pires, J.R, Parthier, C, Aido-Machado, R, Wiedemann, U, Otte, L, Boehm, G, Rudolph, R, Oschkinat, H. | | 登録日 | 2005-02-18 | | 公開日 | 2005-04-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain.
J.Mol.Biol., 348, 2005
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1ZEA
 | | Structure of the anti-cholera toxin antibody Fab fragment TE33 in complex with a D-peptide | | 分子名称: | CITRIC ACID, monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain, ... | | 著者 | Scheerer, P, Krauss, N, Wessner, H, Scholz, C, Otte, L, Seifert, M, Kramer, A, Schneider-Mergener, J, Hoehne, W. | | 登録日 | 2005-04-18 | | 公開日 | 2006-04-04 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structure of an anti-cholera toxin antibody Fab in complex with an epitope-derived D-peptide: a case of polyspecific recognition.
J.Mol.Recognit., 20, 2007
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1YWI
 | | Structure of the FBP11WW1 domain complexed to the peptide APPTPPPLPP | | 分子名称: | Formin, Formin-binding protein 3 | | 著者 | Pires, J.R, Parthier, C, Aido-Machado, R, Wiedemann, U, Otte, L, Boehm, G, Rudolph, R, Oschkinat, H. | | 登録日 | 2005-02-18 | | 公開日 | 2005-04-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain.
J.Mol.Biol., 348, 2005
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6ZGK
 | | GLIC pentameric ligand-gated ion channel, pH 3 | | 分子名称: | Proton-gated ion channel | | 著者 | Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E. | | 登録日 | 2020-06-18 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
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6ZGD
 | | GLIC pentameric ligand-gated ion channel, pH 7 | | 分子名称: | Proton-gated ion channel | | 著者 | Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E. | | 登録日 | 2020-06-18 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
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6ZGJ
 | | GLIC pentameric ligand-gated ion channel, pH 5 | | 分子名称: | Proton-gated ion channel | | 著者 | Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E. | | 登録日 | 2020-06-18 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
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4UCT
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-amino-6-methyl-5-(propan-2-yloxy)-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCU
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxyquinoline-2-carboxylic acid, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCS
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCO
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCV
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-methoxy-2,3-dimethylquinoxalin-5-ol, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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4UCR
 | | Fragment bound to H.influenza NAD dependent DNA ligase | | 分子名称: | 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 8-hydroxy-2-methylquinoline-6-carboxamide, DNA LIGASE | | 著者 | Hale, M, Brassington, C, Carcanague, D, Embrey, K, Eyermann, C.J, Giacobbe, R.A, Gingipali, L, Gowravaram, M, Harang, J, Howard, T, Ioannidis, G, Jahic, H, Kutschke, A, Laganas, V.A, Loch, J, Miller, M.D, Murphy-Benenato, K.E, Oguto, H, Otterbein, L, Patel, S.J, Shapiro, A.B, Boriack-Sjodin, P.A. | | 登録日 | 2014-12-04 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | From Fragments to Leads: Novel Bacterial Nad+-Dependent DNA Ligase Inhibitors
Tetrahedron Lett., 56, 2015
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1RYI
 | | STRUCTURE OF GLYCINE OXIDASE WITH BOUND INHIBITOR GLYCOLATE | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCINE OXIDASE, GLYCOLIC ACID | | 著者 | Moertl, M, Diederichs, K, Welte, W, Pollegioni, L, Molla, G, Motteran, L, Andriolo, G, Pilone, M.S. | | 登録日 | 2003-12-22 | | 公開日 | 2005-02-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-function correlation in glycine oxidase from Bacillus subtilis
J.Biol.Chem., 279, 2004
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2X8I
 | | Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration | | 分子名称: | 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A. | | 登録日 | 2010-03-09 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
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4BW1
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4BW3
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4BW4
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 7-(3,5-dimethylisoxazol-4-yl)-8-methoxy-1-(2-(trifluoromethoxy)phenyl)-1h-imidazo[4,5-c][1,5]naphthyridin-2(3h)-one, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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4BW2
 | | The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand | | 分子名称: | 1,2-ETHANEDIOL, 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E. | | 登録日 | 2013-06-29 | | 公開日 | 2013-09-11 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
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5FN0
 | | Crystal structure of Pseudomonas fluorescens kynurenine-3- monooxygenase (KMO) in complex with GSK180 | | 分子名称: | 3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, KYNURENINE 3-MONOOXYGENASE | | 著者 | Mole, D.J, Webster, S.P, Uings, I, Zheng, X, Binnie, M, Wilson, K, Hutchinson, J.P, Mirguet, O, Walker, A, Beaufils, B, Ancellin, N, Trottet, L, Beneton, V, Mowat, C.G, Wilkinson, M, Rowland, P, Haslam, C, McBride, A, Homer, N.Z.M, Baily, J.E, Sharp, M.G.F, Garden, O.J, Hughes, J, Howie, S.E.M, Holmes, D, Liddle, J, Iredale, J.P. | | 登録日 | 2015-11-10 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | Kynurenine-3-Monooxygenase Inhibition Prevents Multiple Organ Failure in Rodent Models of Acute Pancreatitis.
Nat.Med. (N.Y.), 22, 2016
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5KTZ
 | | expanded poliovirus in complex with VHH 12B | | 分子名称: | Genome polyprotein, VHH 12B, VP1, ... | | 著者 | Strauss, M, Schotte, L, Filman, D.J, Hogle, J.M. | | 登録日 | 2016-07-12 | | 公開日 | 2016-11-02 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (4.3 Å) | | 主引用文献 | Cryo-electron Microscopy Structures of Expanded Poliovirus with VHHs Sample the Conformational Repertoire of the Expanded State.
J. Virol., 91, 2017
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