6T8W
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![BU of 6t8w by Molmil](/molmil-images/mine/6t8w) | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | 分子名称: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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5U9T
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![BU of 5u9t by Molmil](/molmil-images/mine/5u9t) | The Tris-thiolate Zn(II)S3Cl Binding Site Engineered by D-Cysteine Ligands in de Novo Three-stranded Coiled Coil Environment | 分子名称: | ACETATE ION, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | 著者 | Ruckthong, L, Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. | 登録日 | 2016-12-18 | 公開日 | 2017-04-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils. Chemistry, 23, 2017
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1XMA
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![BU of 1xma by Molmil](/molmil-images/mine/1xma) | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | 分子名称: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | 著者 | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2004-10-01 | 公開日 | 2004-12-14 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | 主引用文献 | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 To be published
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6T8U
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![BU of 6t8u by Molmil](/molmil-images/mine/6t8u) | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | 分子名称: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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5C0T
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![BU of 5c0t by Molmil](/molmil-images/mine/5c0t) | Crystal structure of the mercury-bound form of MerB mutant D99S | 分子名称: | Alkylmercury lyase, BROMIDE ION, MERCURY (II) ION | 著者 | Wahba, H.M, Lecoq, L, Stevenson, M, Mansour, A, Cappadocia, L, Lafrance-Vanasse, J, Wilkinson, K.J, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | 登録日 | 2015-06-12 | 公開日 | 2016-02-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structural and Biochemical Characterization of a Copper-Binding Mutant of the Organomercurial Lyase MerB: Insight into the Key Role of the Active Site Aspartic Acid in Hg-Carbon Bond Cleavage and Metal Binding Specificity. Biochemistry, 55, 2016
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7OTS
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![BU of 7ots by Molmil](/molmil-images/mine/7ots) | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside | 分子名称: | GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ... | 著者 | Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L. | 登録日 | 2021-06-10 | 公開日 | 2021-06-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.792 Å) | 主引用文献 | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside To Be Published
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2J5H
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![BU of 2j5h by Molmil](/molmil-images/mine/2j5h) | NMR analysis of mouse CRIPTO CFC domain | 分子名称: | TERATOCARCINOMA-DERIVED GROWTH FACTOR | 著者 | Calvanese, L, Saporito, A, Marasco, D, D'Auria, G, Minchiotti, G, Pedone, C, Paolillo, L, Falcigno, L, Ruvo, M. | 登録日 | 2006-09-18 | 公開日 | 2006-10-02 | 最終更新日 | 2018-05-09 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of mouse Cripto CFC domain and its inactive variant Trp107Ala. J. Med. Chem., 49, 2006
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6K9N
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![BU of 6k9n by Molmil](/molmil-images/mine/6k9n) | Rice_OTUB_like_catalytic domain | 分子名称: | Ubiquitin thioesterase | 著者 | Lu, L.N, Liu, L, Wang, F. | 登録日 | 2019-06-17 | 公開日 | 2020-06-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | 主引用文献 | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains Nat Commun, 13, 2022
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5TBU
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![BU of 5tbu by Molmil](/molmil-images/mine/5tbu) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with Hypoxanthine | 分子名称: | DIMETHYL SULFOXIDE, HYPOXANTHINE, Purine nucleoside phosphorylase | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2016-09-13 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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5TBT
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![BU of 5tbt by Molmil](/molmil-images/mine/5tbt) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with Cytidine | 分子名称: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, Purine nucleoside phosphorylase, SULFATE ION | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2016-09-13 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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6T8V
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![BU of 6t8v by Molmil](/molmil-images/mine/6t8v) | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | 分子名称: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | 著者 | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | 登録日 | 2019-10-25 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases. J.Med.Chem., 63, 2020
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6TKX
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![BU of 6tkx by Molmil](/molmil-images/mine/6tkx) | |
1YUR
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![BU of 1yur by Molmil](/molmil-images/mine/1yur) | Solution structure of apo-S100A13 (minimized mean structure) | 分子名称: | S100 calcium-binding protein A13 | 著者 | Arnesano, F, Banci, L, Bertini, I, Fantoni, A, Tenori, L, Viezzoli, M.S, Structural Proteomics in Europe (SPINE) | 登録日 | 2005-02-14 | 公開日 | 2005-10-18 | 最終更新日 | 2024-05-29 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Interplay between Calcium(II) and Copper(II) Binding to S100A13 Protein Angew.Chem.Int.Ed.Engl., 44, 2005
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4J6I
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![BU of 4j6i by Molmil](/molmil-images/mine/4j6i) | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform | 分子名称: | 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Murray, J.M, Rouge, L, Wu, P. | 登録日 | 2013-02-11 | 公開日 | 2013-08-28 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase beta isoform. Bioorg.Med.Chem.Lett., 23, 2013
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5TBV
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![BU of 5tbv by Molmil](/molmil-images/mine/5tbv) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with tubercidin | 分子名称: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, ... | 著者 | Faheem, M, Torini, J.R, Romanello, L, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2016-09-13 | 公開日 | 2017-10-11 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase To Be Published
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4DGP
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![BU of 4dgp by Molmil](/molmil-images/mine/4dgp) | The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2) | 分子名称: | Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y. | 登録日 | 2012-01-26 | 公開日 | 2013-03-06 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations. J.Biol.Chem., 288, 2013
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8B7S
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![BU of 8b7s by Molmil](/molmil-images/mine/8b7s) | Crystal structure of the Chloramphenicol-inactivating oxidoreductase from Novosphingobium sp | 分子名称: | Chloramphenicol-inactivating oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE | 著者 | Zhang, L, Toplak, M, Saleem-Batcha, R, Hoeing, L, Jakob, R.P, Jehmlich, N, von Bergen, M, Maier, T, Teufel, R. | 登録日 | 2022-10-03 | 公開日 | 2022-11-16 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Bacterial Dehydrogenases Facilitate Oxidative Inactivation and Bioremediation of Chloramphenicol. Chembiochem, 24, 2023
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1ZLQ
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![BU of 1zlq by Molmil](/molmil-images/mine/1zlq) | Crystallographic and spectroscopic evidence for high affinity binding of Fe EDTA (H2O)- to the periplasmic nickel transporter NikA | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, CHLORIDE ION, ... | 著者 | Cherrier, M.V, Martin, L, Cavazza, C, Jacquamet, L, Lemaire, D, Gaillard, J, Fontecilla Camps, J.C. | 登録日 | 2005-05-09 | 公開日 | 2005-08-02 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystallographic and Spectroscopic Evidence for High Affinity Binding of FeEDTA(H(2)O)(-) to the Periplasmic Nickel Transporter NikA J.Am.Chem.Soc., 127, 2005
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6FXX
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![BU of 6fxx by Molmil](/molmil-images/mine/6fxx) | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal, Hg2+ Soak | 分子名称: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | 登録日 | 2018-03-09 | 公開日 | 2018-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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5V35
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![BU of 5v35 by Molmil](/molmil-images/mine/5v35) | Crystal structure of V71F mutant of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with S-farnesyl-L-cysteine methyl ester | 分子名称: | Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1), FARNESYL | 著者 | Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O. | 登録日 | 2017-03-06 | 公開日 | 2017-07-26 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6FXM
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![BU of 6fxm by Molmil](/molmil-images/mine/6fxm) | Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Mn2+ | 分子名称: | 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F. | 登録日 | 2018-03-09 | 公開日 | 2018-08-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3. Nat Commun, 9, 2018
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5CXS
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![BU of 5cxs by Molmil](/molmil-images/mine/5cxs) | Crystal Structure of Isoform 2 of Purine Nucleoside Phosphorylase complexed with MES | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Purine nucleoside phosphorylase | 著者 | Torini, J.R, Romanello, L, Bird, L, Owens, R, Brandao-Neto, J, Pereira, H.M. | 登録日 | 2015-07-29 | 公開日 | 2016-08-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The molecular structure of Schistosoma mansoni PNP isoform 2 provides insights into the nucleoside selectivity of PNPs. PLoS ONE, 13, 2018
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7OV7
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![BU of 7ov7 by Molmil](/molmil-images/mine/7ov7) | The hybrid cage formed between Pizza6-S and Cu(II)-substituted trilacunary Keggin | 分子名称: | COPPER (II) ION, POTASSIUM ION, Pizza6-S, ... | 著者 | Vandebroek, L, Noguchi, H, Anyushin, A, Van Meervelt, L, Voet, A.R.D, Parac-Vogt, T.N. | 登録日 | 2021-06-14 | 公開日 | 2022-04-27 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Hierarchical Self-Assembly of a Supramolecular Protein-Metal Cage Encapsulating a Polyoxometalate Guest Cryst.Growth Des., 2022
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1XRG
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![BU of 1xrg by Molmil](/molmil-images/mine/1xrg) | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 | 分子名称: | Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION | 著者 | Zhao, M, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Zhang, H, Arendall III, W.B, Ljundahl, L, Liu, Z.-J, Rose, J, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | 登録日 | 2004-10-14 | 公開日 | 2004-12-14 | 最終更新日 | 2017-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 To be published
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8KDC
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![BU of 8kdc by Molmil](/molmil-images/mine/8kdc) | Cryo-EM structure of the human parainfluenza virus hPIV3 L-P polymerase in monomeric form | 分子名称: | MAGNESIUM ION, Phosphoprotein, RNA-directed RNA polymerase L, ... | 著者 | Xie, J, Wang, L, Zhai, G, Wu, D, Lin, Z, Wang, M, Yan, X, Gao, L, Huang, X, Fearns, R, Chen, S. | 登録日 | 2023-08-09 | 公開日 | 2024-04-24 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural basis for dimerization of a paramyxovirus polymerase complex. Nat Commun, 15, 2024
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