7LCS
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![BU of 7lcs by Molmil](/molmil-images/mine/7lcs) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | 分子名称: | 3C-like proteinase, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | 登録日 | 2021-01-11 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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7LCT
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![BU of 7lct by Molmil](/molmil-images/mine/7lct) | Improved Feline Drugs as SARS-CoV-2 Mpro Inhibitors: Structure-Activity Studies & Micellar Solubilization for Enhanced Bioavailability | 分子名称: | 3C-like proteinase, N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide | 著者 | Khan, M.B, Arutyunova, E, Young, H.S, Lemieux, M.J. | 登録日 | 2021-01-11 | 公開日 | 2021-07-07 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Improved SARS-CoV-2 M pro inhibitors based on feline antiviral drug GC376: Structural enhancements, increased solubility, and micellar studies. Eur.J.Med.Chem., 222, 2021
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6ZPK
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![BU of 6zpk by Molmil](/molmil-images/mine/6zpk) | Crystal structure of the unconventional kinetochore protein Trypanosoma brucei KKT4 BRCT domain | 分子名称: | GLYCEROL, SULFATE ION, Trypanosoma brucei KKT4 463-645 | 著者 | Ludzia, P, Lowe, E.D, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B. | 登録日 | 2020-07-08 | 公開日 | 2020-10-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein. Structure, 29, 2021
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6YUO
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![BU of 6yuo by Molmil](/molmil-images/mine/6yuo) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with caged Gadolinium | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | 登録日 | 2020-04-27 | 公開日 | 2020-08-19 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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6YX1
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![BU of 6yx1 by Molmil](/molmil-images/mine/6yx1) | Crystal structure of SHANK1 PDZ in complex with a peptide-small molecule hybrid | 分子名称: | 2-[[2-(5-oxidanylidenepentanoyl)hydrazinyl]methyl]benzoic acid, ARGININE, LEUCINE, ... | 著者 | Hegedus, Z, Hobor, F, Shoemark, D.K, Celis, S, Lian, L.J, Trinh, C.H, Sessions, R.B, Edwards, T.A, Wilson, A.J. | 登録日 | 2020-04-30 | 公開日 | 2021-01-20 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Identification of beta-strand mediated protein-protein interaction inhibitors using ligand-directed fragment ligation. Chem Sci, 12, 2021
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6U8U
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![BU of 6u8u by Molmil](/molmil-images/mine/6u8u) | RNA duplex bound with TNA 3'-3' imidazolium dimer | 分子名称: | 2-amino-3-[(R)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1-[(S)-{[(3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium, MAGNESIUM ION, RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3') | 著者 | Szostak, J.W, Zhang, W. | 登録日 | 2019-09-05 | 公開日 | 2020-12-09 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural interpretation of the effects of threo-nucleotides on nonenzymatic template-directed polymerization. Nucleic Acids Res., 49, 2021
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6Z3B
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![BU of 6z3b by Molmil](/molmil-images/mine/6z3b) | Low resolution structure of RgNanOx | 分子名称: | CITRIC ACID, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Naismith, J.H, Lee, M. | 登録日 | 2020-05-19 | 公開日 | 2020-07-22 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | 主引用文献 | Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria. J.Biol.Chem., 295, 2020
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7LIB
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![BU of 7lib by Molmil](/molmil-images/mine/7lib) | |
6YUS
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![BU of 6yus by Molmil](/molmil-images/mine/6yus) | Capsule O-acetyltransferase of Neisseria meningitidis serogroup A H228A mutant in complex with CoA | 分子名称: | 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ... | 著者 | Cramer, J.T, Fiebig, T, Fedorov, R, Muehlenhoff, M. | 登録日 | 2020-04-27 | 公開日 | 2020-08-19 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural and mechanistic basis of capsule O-acetylation in Neisseria meningitidis serogroup A. Nat Commun, 11, 2020
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6ZQP
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![BU of 6zqp by Molmil](/molmil-images/mine/6zqp) | Structure of the Pmt2-MIR domain with bound ligands | 分子名称: | GLYCEROL, PMT2 isoform 1, SULFATE ION, ... | 著者 | Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I. | 登録日 | 2020-07-10 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Functional implications of MIR domains in protein O -mannosylation. Elife, 9, 2020
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6ZPJ
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![BU of 6zpj by Molmil](/molmil-images/mine/6zpj) | Crystal structure of the unconventional kinetochore protein Leishmania mexicana KKT4 coiled coil domain | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, IMIDAZOLE, Leishmania mexicana KKT4 | 著者 | Ludzia, P, Lowe, E.D, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B. | 登録日 | 2020-07-08 | 公開日 | 2020-10-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein. Structure, 29, 2021
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6ZPM
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![BU of 6zpm by Molmil](/molmil-images/mine/6zpm) | Crystal structure of the unconventional kinetochore protein Trypanosoma cruzi KKT4 coiled coil domain | 分子名称: | THREONINE, Trypanosoma cruzi KKT4 117-218 | 著者 | Ludzia, P, Lowe, D.E, Marciano, G, Mohammed, S, Redfield, C, Akiyoshi, B. | 登録日 | 2020-07-08 | 公開日 | 2020-10-21 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural characterization of KKT4, an unconventional microtubule-binding kinetochore protein. Structure, 29, 2021
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6Y9S
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![BU of 6y9s by Molmil](/molmil-images/mine/6y9s) | Crystal structure of GSK-3b in complex with the imidazo[1,5-a]pyridine-3-carboxamide inhibitor 16 | 分子名称: | ACETATE ION, Glycogen synthase kinase-3 beta, ~{N}-(oxan-4-ylmethyl)-6-(5-propan-2-yloxypyridin-3-yl)imidazo[1,5-a]pyridine-3-carboxamide | 著者 | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | 登録日 | 2020-03-10 | 公開日 | 2020-05-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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6Y61
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![BU of 6y61 by Molmil](/molmil-images/mine/6y61) | |
6S0J
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![BU of 6s0j by Molmil](/molmil-images/mine/6s0j) | Structure of Zika virus NS3 helicase in complex with ADP-MgF3(H2O)- | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Genome polyprotein, MAGNESIUM ION, ... | 著者 | Ge, M, Molt Jr, R.W, Jenkins, H.T, Blackburn, G.M, Jin, Y, Antson, A.A. | 登録日 | 2019-06-16 | 公開日 | 2020-07-15 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor. Acs Catalysis, 11, 2021
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6Y5X
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6Y6A
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![BU of 6y6a by Molmil](/molmil-images/mine/6y6a) | Structure of Finch Polyomavirus VP1 in complex with 2-O-Methyl-5-N-acetyl-alpha-D-neuraminic acid | 分子名称: | CHLORIDE ION, Capsid protein VP1, MAGNESIUM ION, ... | 著者 | Stroh, L.J, Rustmeier, N.H, Stehle, T. | 登録日 | 2020-02-26 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6Y66
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![BU of 6y66 by Molmil](/molmil-images/mine/6y66) | Structure of Goose Hemorrhagic Polyomavirus VP1 in complex with 2-O-Methyl-5-N-acetyl-alpha-D-neuraminic acid | 分子名称: | 1,2-ETHANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, Capsid protein VP1, ... | 著者 | Stroh, L.J, Rustmeier, N.H, Stehle, T. | 登録日 | 2020-02-26 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structural Basis and Evolution of Glycan Receptor Specificities within the Polyomavirus Family. Mbio, 11, 2020
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6TVH
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![BU of 6tvh by Molmil](/molmil-images/mine/6tvh) | |
6Y8W
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![BU of 6y8w by Molmil](/molmil-images/mine/6y8w) | |
6Y8V
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![BU of 6y8v by Molmil](/molmil-images/mine/6y8v) | |
6Y9R
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![BU of 6y9r by Molmil](/molmil-images/mine/6y9r) | Crystal structure of GSK-3b in complex with the 1H-indazole-3-carboxamide inhibitor 2 | 分子名称: | ACETATE ION, GLYCEROL, Glycogen synthase kinase-3 beta, ... | 著者 | Krapp, S, Griessner, A, Blaesse, M, Buonfiglio, R, Ombrato, R. | 登録日 | 2020-03-10 | 公開日 | 2020-05-20 | 最終更新日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | 主引用文献 | Discovery of Novel Imidazopyridine GSK-3 beta Inhibitors Supported by Computational Approaches. Molecules, 25, 2020
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7K5X
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![BU of 7k5x by Molmil](/molmil-images/mine/7k5x) | |
6YPG
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![BU of 6ypg by Molmil](/molmil-images/mine/6ypg) | |
6YPK
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![BU of 6ypk by Molmil](/molmil-images/mine/6ypk) | |