6RJ3
 
 | | Crystal structure of PHGDH in complex with compound 15 | | 分子名称: | 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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6E4Z
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8HGR
 | | The apo-flavodoxin monomer from Synechococcus elongatus PCC 7942 | | 分子名称: | CHLORIDE ION, Flavodoxin, MAGNESIUM ION | | 著者 | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | | 登録日 | 2022-11-15 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
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8HGQ
 | | The apo-flavodoxin dimer from Synechococcus elongatus PCC 7942 | | 分子名称: | Flavodoxin, PHOSPHATE ION | | 著者 | Liu, S.W, Chen, Y.Y, Gong, Y, Cao, P. | | 登録日 | 2022-11-15 | | 公開日 | 2022-12-14 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | A dimer-monomer transition captured by the crystal structures of cyanobacterial apo flavodoxin.
Biochem.Biophys.Res.Commun., 639, 2022
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6RJ5
 | | Crystal structure of PHGDH in complex with compound 39 | | 分子名称: | 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide, D-3-phosphoglycerate dehydrogenase, SULFATE ION | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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6E6V
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, ... | | 著者 | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
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6RIH
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6RJ2
 | | Crystal structure of PHGDH in complex with compound 40 | | 分子名称: | D-3-phosphoglycerate dehydrogenase, SULFATE ION, ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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6E6W
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-(2-methyl-4-(1H-tetrazol-5-yl)phenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid | | 分子名称: | 3-hydroxy-6-[2-methyl-4-(1H-tetrazol-5-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid, MANGANESE (II) ION, Polymerase acidic protein | | 著者 | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
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6E6X
 | | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 1-(4-(1H-tetrazol-5-yl)phenyl)-5-hydroxy-2-methylpyridin-4(1H)-one | | 分子名称: | 1,2-ETHANEDIOL, 5-hydroxy-2-methyl-1-[4-(1H-tetrazol-5-yl)phenyl]pyridin-4(1H)-one, MANGANESE (II) ION, ... | | 著者 | Dick, B.L, Morrison, C.N, Credille, C.V, Cohen, S.M. | | 登録日 | 2018-07-25 | | 公開日 | 2019-07-31 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | SAR Exploration of Tight-Binding Inhibitors of Influenza Virus PA Endonuclease.
J.Med.Chem., 62, 2019
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8FBC
 | | Crystal structure of P450T2 | | 分子名称: | Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Pereira, J.H, Huang, J, Keasling, J, Adams, P.D. | | 登録日 | 2022-11-29 | | 公開日 | 2023-05-10 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Complete integration of carbene-transfer chemistry into biosynthesis.
Nature, 617, 2023
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8G8D
 | | Crystal structure of DH1346 Fab in complex with HIV proximal MPER peptide | | 分子名称: | DH1346 heavy chain, DH1346 light chain, FLUORIDE ION, ... | | 著者 | Niyongabo, A, Janus, B.M, Ofek, G. | | 登録日 | 2023-02-17 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
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8G8A
 | | Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH1317.8 heavy chain, DH1317.8 light chain, ... | | 著者 | Janus, B.M, Astavans, A, Ofek, G. | | 登録日 | 2023-02-17 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Vaccine induction of heterologous HIV-1-neutralizing antibody B cell lineages in humans.
Cell, 187, 2024
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8I3U
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 14B1 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab 14B1, Light chain of Fab 14B1, ... | | 著者 | Li, Z, Yu, F, Cao, S. | | 登録日 | 2023-01-18 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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8I3S
 | | Local CryoEM structure of the SARS-CoV-2 S6P in complex with 7B3 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain od Fab 7B3, Light chain of Fab 7B3, ... | | 著者 | Li, Z, Yu, F, Cao, S, ZHao, H. | | 登録日 | 2023-01-17 | | 公開日 | 2023-10-04 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Broadly neutralizing antibodies derived from the earliest COVID-19 convalescents protect mice from SARS-CoV-2 variants challenge.
Signal Transduct Target Ther, 8, 2023
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6RJ6
 | | Crystal structure of PHGDH in complex with BI-4924 | | 分子名称: | 2-[4-[(1~{S})-1-[[4,5-bis(chloranyl)-1,6-dimethyl-indol-2-yl]carbonylamino]-2-oxidanyl-ethyl]phenyl]sulfonylethanoic acid, D-3-phosphoglycerate dehydrogenase | | 著者 | Bader, G, Wolkerstorfer, B, Zoephel, A. | | 登録日 | 2019-04-26 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.984 Å) | | 主引用文献 | Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
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8XKI
 | | A neutralizing nanobody VHH60 against wt SARS-CoV-2 | | 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, ... | | 著者 | Lu, Y, Guo, H, Ji, X, Yang, H. | | 登録日 | 2023-12-23 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug.
Cell Death Dis, 15, 2024
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7TZO
 | | The apo structure of human mTORC2 complex | | 分子名称: | Rapamycin-insensitive companion of mTOR, Serine/threonine-protein kinase mTOR, Target of rapamycin complex 2 subunit MAPKAP1, ... | | 著者 | Yu, Z, Chen, J, Pearce, D. | | 登録日 | 2022-02-16 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.28 Å) | | 主引用文献 | Interactions between mTORC2 core subunits Rictor and mSin1 dictate selective and context-dependent phosphorylation of substrate kinases SGK1 and Akt.
J.Biol.Chem., 298, 2022
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6YV3
 | | Structure of recombinant human beta-glucocerebrosidase in complex with galacto-configured cyclophellitol aziridine inhibitor | | 分子名称: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2020-04-27 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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6YTR
 | | Structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol aziridine inhibitor | | 分子名称: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2020-04-24 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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6YTP
 | | Structure of recombinant human beta-glucocerebrosidase in complex with azide tagged cyclophellitol epoxide inhibitor | | 分子名称: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2020-04-24 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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4FS4
 | | Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium | | 分子名称: | (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID | | 著者 | Strickland, C, Stamford, A. | | 登録日 | 2012-06-26 | | 公開日 | 2012-10-10 | | 最終更新日 | 2014-07-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
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6YUT
 | | Structure of recombinant human beta-glucocerebrosidase in complex with N-acyl functionalised cyclophellitol aziridine | | 分子名称: | 1,2-ETHANEDIOL, 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 | Rowland, R.J, Davies, G.J. | | 登録日 | 2020-04-27 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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8XK2
 | | A neutralizing nanobody VHH60 against wt SARS-CoV-2 | | 分子名称: | Spike protein S1, VHH60 nanobody | | 著者 | Lu, Y, Guo, H, Ji, X, Yang, H. | | 登録日 | 2023-12-22 | | 公開日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | A broad neutralizing nanobody against SARS-CoV-2 engineered from an approved drug.
Cell Death Dis, 15, 2024
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6Z39
 | | Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised epoxide activity based probe | | 分子名称: | (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Rowland, R.J, Davies, G.J. | | 登録日 | 2020-05-19 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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