4FAM
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![BU of 4fam by Molmil](/molmil-images/mine/4fam) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | 登録日 | 2012-05-22 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4FJ1
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![BU of 4fj1 by Molmil](/molmil-images/mine/4fj1) | Crystal Structure of the ternary complex between a fungal 17beta-hydroxysteroid dehydrogenase (Holo form) and genistein | 分子名称: | 17beta-hydroxysteroid dehydrogenase, DIMETHYL SULFOXIDE, GENISTEIN, ... | 著者 | Cassetta, A, Lamba, D, Krastanova, I. | 登録日 | 2012-06-11 | 公開日 | 2013-07-03 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl. J. Steroid Biochem. Mol. Biol., 171, 2017
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4F12
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![BU of 4f12 by Molmil](/molmil-images/mine/4f12) | Crystal structure of the extracellular domain of human GABA(B) receptor GBR2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 2 | 著者 | Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R. | 登録日 | 2012-05-05 | 公開日 | 2012-06-06 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.02 Å) | 主引用文献 | Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2. Nat.Neurosci., 15, 2012
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4F63
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![BU of 4f63 by Molmil](/molmil-images/mine/4f63) | Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 1 | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N~4~-(3-methyl-1H-pyrazol-5-yl)-N~2~-[2-(pyridin-3-yl)ethyl]pyrimidine-2,4-diamine, Fibroblast growth factor receptor 1 | 著者 | Norman, R.A, Breed, J, Ogg, D. | 登録日 | 2012-05-14 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Protein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase. J.Med.Chem., 55, 2012
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4F64
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![BU of 4f64 by Molmil](/molmil-images/mine/4f64) | Crystal structure of Human Fibroblast Growth Factor Receptor 1 Kinase domain in complex with compound 6 | 分子名称: | 1,2-ETHANEDIOL, 5-bromo-N~4~-[3-(3-methoxypropyl)-1H-pyrazol-5-yl]-N~2~-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine, Fibroblast growth factor receptor 1, ... | 著者 | Norman, R.A, Breed, J, Ogg, D. | 登録日 | 2012-05-14 | 公開日 | 2012-06-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | Protein-Ligand Crystal Structures Can Guide the Design of Selective Inhibitors of the FGFR Tyrosine Kinase. J.Med.Chem., 55, 2012
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4FAL
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![BU of 4fal by Molmil](/molmil-images/mine/4fal) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80) | 分子名称: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, Aldo-keto reductase family 1 member C3, ... | 著者 | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | 登録日 | 2012-05-22 | 公開日 | 2012-10-10 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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4F0X
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![BU of 4f0x by Molmil](/molmil-images/mine/4f0x) | Crystal structure of human Malonyl-CoA Decarboxylase (Peroxisomal Isoform) | 分子名称: | Malonyl-CoA decarboxylase, mitochondrial, N~3~-[(2R)-2-hydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alaninamide | 著者 | Aparicio, D, Perez, R, Fita, I. | 登録日 | 2012-05-05 | 公開日 | 2013-03-20 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | 主引用文献 | Structural Asymmetry and Disulfide Bridges among Subunits Modulate the Activity of Human Malonyl-CoA Decarboxylase. J.Biol.Chem., 288, 2013
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4F11
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![BU of 4f11 by Molmil](/molmil-images/mine/4f11) | Crystal structure of the extracellular domain of human GABA(B) receptor GBR2 | 分子名称: | Gamma-aminobutyric acid type B receptor subunit 2 | 著者 | Geng, Y, Xiong, D, Mosyak, L, Malito, D.L, Kniazeff, J, Chen, Y, Burmakina, S, Quick, M, Bush, M, Javitch, J.A, Pin, J.-P, Fan, Q.R. | 登録日 | 2012-05-05 | 公開日 | 2012-06-06 | 最終更新日 | 2012-08-15 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Structure and functional interaction of the extracellular domain of human GABA(B) receptor GBR2. Nat.Neurosci., 15, 2012
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4F5C
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![BU of 4f5c by Molmil](/molmil-images/mine/4f5c) | Crystal structure of the spike receptor binding domain of a porcine respiratory coronavirus in complex with the pig aminopeptidase N ectodomain | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | 著者 | Santiago, C, Reguera, J, Gaurav, M, Ordono, D, Enjuanes, L, Casasnovas, J.M. | 登録日 | 2012-05-13 | 公開日 | 2012-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Structural bases of coronavirus attachment to host aminopeptidase N and its inhibition by neutralizing antibodies. Plos Pathog., 8, 2012
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4F78
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![BU of 4f78 by Molmil](/molmil-images/mine/4f78) | Crystal Structure of Vancomycin Resistance D,D-dipeptidase VanXYg | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, D,D-dipeptidase/D,D-carboxypeptidase, ... | 著者 | Stogios, P.J, Wawrzak, Z, Evdokimova, E, Minasov, G, Egorova, O, Di Leo, R, Kudritska, M, Yim, V, Meziane-Cherif, D, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2012-05-15 | 公開日 | 2012-05-23 | 最終更新日 | 2014-05-14 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural basis for the evolution of vancomycin resistance D,D-peptidases. Proc.Natl.Acad.Sci.USA, 111, 2014
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4FB7
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![BU of 4fb7 by Molmil](/molmil-images/mine/4fb7) | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Indole-3-glycerol phosphate synthase | 著者 | Michalska, K, Chhor, G, Jedrzejczak, R, Terwilliger, T.C, Rubin, E.J, Guinn, K, Baker, D, Ioerger, T.R, Sacchettini, J.C, Joachimiak, A, Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI), Midwest Center for Structural Genomics (MCSG) | 登録日 | 2012-05-22 | 公開日 | 2012-06-13 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | The apo form of idole-3-glycerol phosphate synthase (TrpC) form Mycobacterium tuberculosis To be Published
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4FFJ
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4FFX
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![BU of 4ffx by Molmil](/molmil-images/mine/4ffx) | Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency Associated Mutation | 分子名称: | Adenylosuccinate lyase | 著者 | Deaton, M.K, Ray, S.P, Capodagli, G.C, Calkins, L.A.F, Sawle, L, Ghosh, K, Patterson, D, Pegan, S.D. | 登録日 | 2012-06-01 | 公開日 | 2012-08-01 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural and Biochemical Characterization of Human Adenylosuccinate Lyase (ADSL) and the R303C ADSL Deficiency-Associated Mutation. Biochemistry, 51, 2012
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4F0A
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![BU of 4f0a by Molmil](/molmil-images/mine/4f0a) | Crystal structure of XWnt8 in complex with the cysteine-rich domain of Frizzled 8 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-8, PALMITOLEIC ACID, ... | 著者 | Janda, C.Y, Waghray, D, Levin, A.M, Thomas, C, Garcia, K.C. | 登録日 | 2012-05-03 | 公開日 | 2012-06-13 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Structural basis of Wnt recognition by Frizzled. Science, 337, 2012
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4F2M
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![BU of 4f2m by Molmil](/molmil-images/mine/4f2m) | Crystal structure of a TGEV coronavirus Spike fragment in complex with the TGEV neutralizing monoclonal antibody 1AF10 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ... | 著者 | Reguera, J, Santiago, C, Mudgal, G, Ordono, D, Enjuanes, L, Casasnovas, J.M. | 登録日 | 2012-05-08 | 公開日 | 2012-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural bases of coronavirus attachment to host aminopeptidase N and its inhibition by neutralizing antibodies. Plos Pathog., 8, 2012
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4F7W
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![BU of 4f7w by Molmil](/molmil-images/mine/4f7w) | Crystal structure of Klebsiella pneumoniae pantothenate kinase in complex with N-pentylpantothenamide | 分子名称: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase, ... | 著者 | Li, B, Tempel, W, Smil, D, Bolshan, Y, Hong, B.S, Park, H.W, Structural Genomics Consortium (SGC) | 登録日 | 2012-05-16 | 公開日 | 2013-04-10 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structures of Klebsiella pneumoniae pantothenate kinase in complex with N-substituted pantothenamides. Proteins, 81, 2013
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4F97
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![BU of 4f97 by Molmil](/molmil-images/mine/4f97) | Crystal Structure of VldE, the pseudo-glycosyltransferase, in complex with GDP and validoxylamine A 7'-phosphate | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, ... | 著者 | Cavalier, M.C, Yim, Y.-S, Asamizu, S, Neau, D, Almabruk, K.H, Mahmud, T, Lee, Y.-H. | 登録日 | 2012-05-18 | 公開日 | 2012-10-17 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.108 Å) | 主引用文献 | Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex. Plos One, 7, 2012
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4FEE
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![BU of 4fee by Molmil](/molmil-images/mine/4fee) | High-resolution structure of pyruvate oxidase in complex with reaction intermediate 2-hydroxyethyl-thiamin diphosphate carbanion-enamine, crystal B | 分子名称: | 2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Meyer, D, Neumann, P, Koers, E, Sjuts, H, Luedtke, S, Sheldrick, G.M, Ficner, R, Tittmann, K. | 登録日 | 2012-05-30 | 公開日 | 2012-06-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Unexpected tautomeric equilibria of the carbanion-enamine intermediate in pyruvate oxidase highlight unrecognized chemical versatility of thiamin. Proc.Natl.Acad.Sci.USA, 109, 2012
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3PJV
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7H3H
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![BU of 7h3h by Molmil](/molmil-images/mine/7h3h) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57472297 (A71EV2A-x0395) | 分子名称: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, DIMETHYL SULFOXIDE, Protease 2A, ... | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | 登録日 | 2024-04-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H3V
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![BU of 7h3v by Molmil](/molmil-images/mine/7h3v) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1198177230 (A71EV2A-x0501) | 分子名称: | (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole, DIMETHYL SULFOXIDE, Protease 2A, ... | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | 登録日 | 2024-04-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H3Y
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![BU of 7h3y by Molmil](/molmil-images/mine/7h3y) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1203107138 (A71EV2A-x0517) | 分子名称: | 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Protease 2A, ... | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | 登録日 | 2024-04-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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3Q1F
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![BU of 3q1f by Molmil](/molmil-images/mine/3q1f) | CTX-M-9 S70G in complex with hydrolyzed piperacillin | 分子名称: | Beta-lactamase, Hydrolyzed piperacillin | 著者 | Leyssne, D, Delmas, J, Coignoux, A, Robin, F, Bonnet, R. | 登録日 | 2010-12-17 | 公開日 | 2011-12-21 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | CTX-M-9 S70G mutant in complex with hydrolyzed piperacillin To be Published
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7H39
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![BU of 7h39 by Molmil](/molmil-images/mine/7h39) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z50145861 (A71EV2A-x0341) | 分子名称: | 5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one, DIMETHYL SULFOXIDE, Protease 2A, ... | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | 登録日 | 2024-04-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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7H4V
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![BU of 7h4v by Molmil](/molmil-images/mine/7h4v) | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57663553 (A71EV2A-x1128) | 分子名称: | 5-phenyl-1,3,4-oxadiazol-2-ol, DIMETHYL SULFOXIDE, Protease 2A, ... | 著者 | Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | 登録日 | 2024-04-04 | 公開日 | 2024-04-24 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease To Be Published
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