8PN5
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8PMU
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6G9W
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![BU of 6g9w by Molmil](/molmil-images/mine/6g9w) | Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP | 分子名称: | UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | 著者 | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor RSC Chem. Biol., 2020
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8AXH
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![BU of 8axh by Molmil](/molmil-images/mine/8axh) | Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Mucin-1 subunit alpha, ... | 著者 | Bermejo, I, Corzana, F, Hurtado-Guerrero, R. | 登録日 | 2022-08-31 | 公開日 | 2023-08-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses. Jacs Au, 4, 2024
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6G9V
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![BU of 6g9v by Molmil](/molmil-images/mine/6g9v) | Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+ | 分子名称: | MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ... | 著者 | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | 登録日 | 2018-04-11 | 公開日 | 2019-04-24 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor RSC Chem. Biol., 2020
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6ZUF
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![BU of 6zuf by Molmil](/molmil-images/mine/6zuf) | Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | 分子名称: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | 著者 | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | 登録日 | 2020-07-22 | 公開日 | 2021-06-09 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity. Sci Adv, 7, 2021
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7A1D
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![BU of 7a1d by Molmil](/molmil-images/mine/7a1d) | Cryo-EM map of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis (open conformation) | 分子名称: | NAD-specific glutamate dehydrogenase | 著者 | Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N. | 登録日 | 2020-08-12 | 公開日 | 2021-06-09 | 最終更新日 | 2021-10-06 | 実験手法 | ELECTRON MICROSCOPY (4.19 Å) | 主引用文献 | 3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme. Commun Biol, 4, 2021
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5A2K
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![BU of 5a2k by Molmil](/molmil-images/mine/5a2k) | Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | 著者 | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | 登録日 | 2015-05-20 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5AFV
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![BU of 5afv by Molmil](/molmil-images/mine/5afv) | Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1. | 分子名称: | 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, CHOLINE KINASE ALPHA | 著者 | Serran-Aguilera, L, Nuti, R, Lopez-Cara, L.C, Gallo Mezo, M.A, Macchiarulo, A, Entrena, A, Hurtado-Guerrero, R. | 登録日 | 2015-01-26 | 公開日 | 2015-03-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1 Mol Inform, 34, 2015
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5A2J
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![BU of 5a2j by Molmil](/molmil-images/mine/5a2j) | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | 分子名称: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | 著者 | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | 登録日 | 2015-05-20 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A2I
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![BU of 5a2i by Molmil](/molmil-images/mine/5a2i) | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | 著者 | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | 登録日 | 2015-05-20 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | 主引用文献 | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A2L
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![BU of 5a2l by Molmil](/molmil-images/mine/5a2l) | Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | 著者 | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | 登録日 | 2015-05-20 | 公開日 | 2015-06-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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8AY1
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![BU of 8ay1 by Molmil](/molmil-images/mine/8ay1) | Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ... | 著者 | Hurtado-Guerrero, R, Merino, P. | 登録日 | 2022-09-01 | 公開日 | 2022-10-26 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2. Angew.Chem.Int.Ed.Engl., 61, 2022
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8P0O
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![BU of 8p0o by Molmil](/molmil-images/mine/8p0o) | Crystal structure of AaNGT complexed to UDP-Gal | 分子名称: | 1,2-ETHANEDIOL, Adhesin, GALACTOSE-URIDINE-5'-DIPHOSPHATE | 著者 | Pinello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | 登録日 | 2023-05-10 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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8P0Q
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![BU of 8p0q by Molmil](/molmil-images/mine/8p0q) | Crystal structure of AaNGT complexed to UDP and a peptide | 分子名称: | Adhesin, PHE-GLY-ASN-TRP-THR-THR, URIDINE-5'-DIPHOSPHATE | 著者 | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | 登録日 | 2023-05-10 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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6EGS
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![BU of 6egs by Molmil](/molmil-images/mine/6egs) | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | 分子名称: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | 著者 | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | 登録日 | 2017-09-12 | 公開日 | 2018-04-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts. Chemistry, 24, 2018
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8P0P
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![BU of 8p0p by Molmil](/molmil-images/mine/8p0p) | Crystal structure of AaNGT complexed to UDP-2F-Glucose | 分子名称: | Adhesin, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | 著者 | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | 登録日 | 2023-05-10 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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6R5M
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![BU of 6r5m by Molmil](/molmil-images/mine/6r5m) | Crystal structure of toxin MT9 from mamba venom | 分子名称: | ACETYL GROUP, Dendroaspis polylepis MT9, GLYCEROL, ... | 著者 | Stura, E.A, Tepshi, L, Ciolek, J, Triquigneaux, M, Zoukimian, C, De Waard, M, Beroud, R, Servent, D, Gilles, N, Legrand, P, Ciccone, L. | 登録日 | 2019-03-25 | 公開日 | 2020-02-12 | 最終更新日 | 2022-05-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | MT9, a natural peptide from black mamba venom antagonizes the muscarinic type 2 receptor and reverses the M2R-agonist-induced relaxation in rat and human arteries Biomed Pharmacother, 150, 2022
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7QDH
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![BU of 7qdh by Molmil](/molmil-images/mine/7qdh) | SARS-CoV-2 S protein S:D614G mutant 1-up | 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, Spike glycoprotein,Fibritin | 著者 | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | 登録日 | 2021-11-27 | 公開日 | 2022-05-25 | 最終更新日 | 2022-08-10 | 実験手法 | ELECTRON MICROSCOPY (4.2 Å) | 主引用文献 | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation. Plos Pathog., 18, 2022
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7QDG
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![BU of 7qdg by Molmil](/molmil-images/mine/7qdg) | SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | 登録日 | 2021-11-27 | 公開日 | 2022-05-25 | 最終更新日 | 2022-08-24 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation. Plos Pathog., 18, 2022
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6GW7
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![BU of 6gw7 by Molmil](/molmil-images/mine/6gw7) | The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA | 分子名称: | DNA protecting protein DprA | 著者 | Lisboa, J, Celma, L, Sanchez, D, Marquis, M, Andreani, J, Guerois, R, Ochsenbein, F, Durand, D, Marsin, S, Cuniasse, P, Radicella, J.P, Quevillon-Cheruel, S. | 登録日 | 2018-06-22 | 公開日 | 2019-04-24 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA. Febs J., 286, 2019
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2JRR
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![BU of 2jrr by Molmil](/molmil-images/mine/2jrr) | Solution NMR Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90 | 分子名称: | Uncharacterized protein | 著者 | Swapna, G.V.T, Tejero, R, Jiang, M, Cunningham, K, Maglaqui, M, Owens, L, Liu, J, Wang, H, Acton, T.B, Xiao, R, Baran, M.C, Rost, B, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2007-06-28 | 公開日 | 2007-07-17 | 最終更新日 | 2024-05-08 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution NMR Structure of Q5LLS5 from Silicibacter pomeroyi. To be Published
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4OQL
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![BU of 4oql by Molmil](/molmil-images/mine/4oql) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU | 分子名称: | 2'-deoxy-5-ethynyl-2',2'-difluorouridine, SULFATE ION, Thymidine kinase | 著者 | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N, Scapozza, L. | 登録日 | 2014-02-10 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with dF-EdU To be Published
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4OQN
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![BU of 4oqn by Molmil](/molmil-images/mine/4oqn) | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU | 分子名称: | 2'-deoxy-5-ethynyluridine, SULFATE ION, Thymidine kinase | 著者 | Pernot, L, Neef, A.B, Westermaier, Y, Perozzo, R, Luedtke, N.W, Scapozza, L. | 登録日 | 2014-02-10 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with EdU To be Published
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3ZY6
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![BU of 3zy6 by Molmil](/molmil-images/mine/3zy6) | Crystal structure of POFUT1 in complex with GDP-fucose (crystal-form-II) | 分子名称: | GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1 | 著者 | Lira-Navarrete, E, Valero-Gonzalez, J, Villanueva, R, Martinez-Julvez, M, Tejero, T, Merino, P, Panjikar, S, Hurtado-Guerrero, R. | 登録日 | 2011-08-17 | 公開日 | 2011-09-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Structural Insights Into the Mechanism of Protein O-Fucosylation. Plos One, 6, 2011
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