4YL3
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![BU of 4yl3 by Molmil](/molmil-images/mine/4yl3) | Crystal Structures of mPGES-1 Inhibitor Complexes | Descriptor: | 5-[4-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-{[4-(trifluoromethyl)phenyl]ethynyl}pyridine, GLUTATHIONE, Prostaglandin E synthase, ... | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | Deposit date: | 2015-03-04 | Release date: | 2015-07-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. J.Med.Chem., 58, 2015
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6MBK
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![BU of 6mbk by Molmil](/molmil-images/mine/6mbk) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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7PP2
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![BU of 7pp2 by Molmil](/molmil-images/mine/7pp2) | Complex of rice blast (Magnaporthe oryzae) effector protein AVR-Pii with the host target Exo70F2 from Rice (Oryza sativa) | Descriptor: | AVR-Pii protein, Exocyst subunit Exo70 family protein, ZINC ION | Authors: | De la Concepcion, J.C, Bentham, A.R, Lawson, D, Banfield, M.J. | Deposit date: | 2021-09-13 | Release date: | 2022-06-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | A blast fungus zinc-finger fold effector binds to a hydrophobic pocket in host Exo70 proteins to modulate immune recognition in rice. Proc.Natl.Acad.Sci.USA, 119, 2022
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6MBL
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![BU of 6mbl by Molmil](/molmil-images/mine/6mbl) | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | Authors: | Horton, J.R, Dai, S, Cheng, X. | Deposit date: | 2018-08-30 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia. Nature, 565, 2019
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7T2V
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![BU of 7t2v by Molmil](/molmil-images/mine/7t2v) | |
7T2T
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![BU of 7t2t by Molmil](/molmil-images/mine/7t2t) | |
7T2U
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![BU of 7t2u by Molmil](/molmil-images/mine/7t2u) | |
6PPC
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![BU of 6ppc by Molmil](/molmil-images/mine/6ppc) | Solution structure of conotoxin MiXXVIIA | Descriptor: | Conopeptide phi-MiXXVIIA | Authors: | Daly, N.L, Dekan, Z, Jin, A.H, Alewood, P.F. | Deposit date: | 2019-07-06 | Release date: | 2019-08-14 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conotoxin phi-MiXXVIIA from the Superfamily G2 Employs a Novel Cysteine Framework that Mimics Granulin and Displays Anti-Apoptotic Activity. Angew. Chem. Int. Ed. Engl., 56, 2017
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7UOQ
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![BU of 7uoq by Molmil](/molmil-images/mine/7uoq) | CRYSTAL STRUCTURE OF HIV-1 INTEGRASE COMPLEXED WITH (2S)-2-(TERT-BUTOXY)-2-(5-{2-[(2-CHLORO-6-M ETHYLPHENYL)METHYL]-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL}-4- (4,4-DIMETHYLPIPERIDIN-1-YL)-2-METHYLPYRIDIN-3-YL)ACETIC ACID | Descriptor: | (2S)-tert-butoxy[(5M)-5-{2-[(2-chloro-6-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-yl}-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]acetic acid, Integrase, SULFATE ION | Authors: | Lewis, H.A, Muckelbauer, J.K. | Deposit date: | 2022-04-13 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8867 Å) | Cite: | Discovery and Preclinical Profiling of GSK3839919, a Potent HIV-1 Allosteric Integrase Inhibitor. Acs Med.Chem.Lett., 13, 2022
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7R6H
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![BU of 7r6h by Molmil](/molmil-images/mine/7r6h) | RHCC in complex with o-carborane | Descriptor: | Tetrabrachion, ortho-carborane | Authors: | Heide, F, McDougall, M, Stetefeld, J. | Deposit date: | 2021-06-22 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Boron rich nanotube drug carrier system is suited for boron neutron capture therapy. Sci Rep, 11, 2021
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6WKU
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![BU of 6wku by Molmil](/molmil-images/mine/6wku) | Twelve Chloride Ions Drive Assembly of Human alpha345 Collagen IV NC1 domain | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | Authors: | Boudko, S.P, Hudson, B.G. | Deposit date: | 2020-04-17 | Release date: | 2021-04-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Collagen IV alpha 345 dysfunction in glomerular basement membrane diseases. II. Crystal structure of the alpha 345 hexamer. J.Biol.Chem., 296, 2021
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7U15
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![BU of 7u15 by Molmil](/molmil-images/mine/7u15) | TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U16
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![BU of 7u16 by Molmil](/molmil-images/mine/7u16) | TMEM106B(120-254) protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (all cases combined). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U17
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![BU of 7u17 by Molmil](/molmil-images/mine/7u17) | TMEM106B(120-254) T185S singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type B case 2 (case 7). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U10
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![BU of 7u10 by Molmil](/molmil-images/mine/7u10) | TMEM106B(120-254) protofilament from progressive supranuclear palsy (PSP) case 2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U11
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![BU of 7u11 by Molmil](/molmil-images/mine/7u11) | TMEM106B(120-254) protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U13
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![BU of 7u13 by Molmil](/molmil-images/mine/7u13) | TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 4) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U12
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![BU of 7u12 by Molmil](/molmil-images/mine/7u12) | TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (case 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U18
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![BU of 7u18 by Molmil](/molmil-images/mine/7u18) | TMEM106B(120-254) T185S protofilament from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type A (all cases combined). | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, TMEM106B protein | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-20 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U0Z
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![BU of 7u0z by Molmil](/molmil-images/mine/7u0z) | High-resolution map of tau filament from progressive supranuclear palsy (PSP) case 1 | Descriptor: | Isoform Tau-E of Microtubule-associated protein tau | Authors: | FItzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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7U14
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![BU of 7u14 by Molmil](/molmil-images/mine/7u14) | TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type C (case 8) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | Authors: | Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A. | Deposit date: | 2022-02-19 | Release date: | 2022-03-23 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases. Cell, 185, 2022
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5IJT
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![BU of 5ijt by Molmil](/molmil-images/mine/5ijt) | |
5IXY
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![BU of 5ixy by Molmil](/molmil-images/mine/5ixy) | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one | Descriptor: | (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Chen, Z, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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2UVK
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![BU of 2uvk by Molmil](/molmil-images/mine/2uvk) | Structure of YjhT | Descriptor: | YJHT | Authors: | Muller, A, Severi, E, Wilson, K.S, Thomas, G.H. | Deposit date: | 2007-03-12 | Release date: | 2007-12-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Sialic Acid Mutarotation is Catalyzed by the Escherichia Coli Beta-Propeller Protein Yjht. J.Biol.Chem., 283, 2008
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5IXS
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![BU of 5ixs by Molmil](/molmil-images/mine/5ixs) | Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 9: (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one | Descriptor: | (6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one, 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ... | Authors: | Ultsch, M, Eigenbrot, C. | Deposit date: | 2016-03-23 | Release date: | 2016-09-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice. Acs Med.Chem.Lett., 7, 2016
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