5XL7
 
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4BXE
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5X74
 | | The crystal Structure PDE delta in complex with compound (R, R)-1g | | Descriptor: | (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
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5XLA
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6U3X
 | | PCSK9 in complex with compound 2 | | Descriptor: | 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-22 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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5XL4
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6U26
 | | PCSK9 in complex with compound 16 | | Descriptor: | 4'-{[(1R)-6-{2-[2-({N~5~-[N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]-N~2~-(tert-butoxycarbonyl)-L-ornithyl}amino)ethoxy]ethoxy}-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-2'-fluoro[1,1'-biphenyl]-4-carboxylic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Orth, P. | | Deposit date: | 2019-08-19 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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6U2P
 | | PCSK9 in complex with compound 5 | | Descriptor: | 1,2-ETHANEDIOL, 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9 | | Authors: | Lu, J, Soisson, S. | | Deposit date: | 2019-08-20 | | Release date: | 2019-11-06 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
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5XL8
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5X73
 | | The crystal Structure PDE delta in complex with R-p9 | | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
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5XLB
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5XL2
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5EJ6
 | | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 2min then soaked with isochorismate for 2 min | | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, MANGANESE (II) ION | | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.243 Å) | | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
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5EJ4
 | | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 15 min | | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, FORMIC ACID, ... | | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.773 Å) | | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
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5EJ8
 | | EcMenD-ThDP-Mn2+ complex structure soaked with 2-ketoglutarate for 2 min | | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
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7VWP
 | | Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ... | | Authors: | Zhang, Y, Yang, C, Zhang, L, Zhang, C. | | Deposit date: | 2021-11-11 | | Release date: | 2022-09-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation
Nat Commun, 13, 2022
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7EFT
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8I4L
 | | Capsid structure of the Cyanophage P-SCSP1u | | Descriptor: | The capsid protein(gp 19) of P-SCSP1u | | Authors: | Liu, H, Dang, S. | | Deposit date: | 2023-01-19 | | Release date: | 2023-10-25 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses.
Nat Commun, 14, 2023
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8I4M
 | | Portal-tail complex structure of the Cyanophage P-SCSP1u | | Descriptor: | Adaptor protein(gp22) of the cyanophage P-SCSP1u, Fiber protein(gp 28) of the cyanophage P-SCSP1u, Nozzle protein(gp 23) of the cyanophage P-SCSP1u, ... | | Authors: | Liu, H, Dang, S. | | Deposit date: | 2023-01-19 | | Release date: | 2023-11-01 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Cryo-EM structure of cyanophage P-SCSP1u offers insights into DNA gating and evolution of T7-like viruses.
Nat Commun, 14, 2023
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5EJ7
 | | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 21 s | | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
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7UG0
 | | TBOA-bound GltPh RSMR mutant in IFS state | | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-23 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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7UGX
 | | Asp-bound GltPh RSMR mutant in IFS-B1 state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.96 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19 F NMR and Cryo-EM.
J.Am.Chem.Soc., 145, 2023
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7UH6
 | | Asp-bound GltPh RSMR mutant in IFS-B2 state | | Descriptor: | ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-25 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (3.44 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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5EJ5
 | | EcMenD-ThDP-Mn2+ complex soaked with 2-ketoglutarate for 1.5 h | | Descriptor: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid, 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, GLYCEROL, ... | | Authors: | Song, H.G, Dong, C, Chen, Y.Z, Sun, Y.R, Guo, Z.H. | | Deposit date: | 2015-11-01 | | Release date: | 2016-06-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Thiamine-Dependent Enzyme Utilizes an Active Tetrahedral Intermediate in Vitamin K Biosynthesis
J.Am.Chem.Soc., 138, 2016
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7UGJ
 | | TBOA-bound GltPh RSMR mutant in OFS state | | Descriptor: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION | | Authors: | Huang, Y, Boudker, O. | | Deposit date: | 2022-03-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | Environmentally Ultrasensitive Fluorine Probe to Resolve Protein Conformational Ensembles by 19F NMR and Cryo-EM
J.Am.Chem.Soc., 145, 2023
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