6O4X
 
 | | Binary complex of native hAChE with 9-aminoacridine | | Descriptor: | 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
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6OY3
 | | nhTMEM16 L302A +Ca2+ in nanodiscs | | Descriptor: | CALCIUM ION, nhTMEM16 | | Authors: | Falzone, M, Lee, B.C, Accardi, A. | | Deposit date: | 2019-05-14 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca 2+ -bound nhTMEM16.
Nat Commun, 10, 2019
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8JPB
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 1 | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPF
 | | Focused refiment structure of NTSR1 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, NTS, Neurotensin receptor type 1 | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPC
 | | cryo-EM structure of NTSR1-GRK2-Galpha(q) complexes 2 | | Descriptor: | 2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol, Beta-adrenergic receptor kinase 1, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.07 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPD
 | | Focused refinement structure of GRK2 in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | Beta-adrenergic receptor kinase 1, STAUROSPORINE | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.81 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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8JPE
 | | Focused refinement structure of Galpha(q) in NTSR1-GRK2-Galpha(q) complexes | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(q) subunit alpha, MAGNESIUM ION, ... | | Authors: | Duan, J, Liu, H, Zhao, F, Yuan, Q, Ji, Y, Xu, H.E. | | Deposit date: | 2023-06-11 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | GPCR activation and GRK2 assembly by a biased intracellular agonist.
Nature, 620, 2023
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7LUX
 | | AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2 | | Descriptor: | Nucleoprotein AALALL, TETRAETHYLENE GLYCOL | | Authors: | Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | | Deposit date: | 2021-02-23 | | Release date: | 2021-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.303 Å) | | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
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7LUZ
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7LV2
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7LTU
 | | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1 | | Descriptor: | AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid | | Authors: | Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S. | | Deposit date: | 2021-02-20 | | Release date: | 2021-03-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.122 Å) | | Cite: | Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
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8HK5
 | | C5aR1-Gi-C5a protein complex | | Descriptor: | C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK3
 | | C3aR-Gi-apo protein complex | | Descriptor: | C3a anaphylatoxin chemotactic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8HK2
 | | C3aR-Gi-C3a protein complex | | Descriptor: | C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ... | | Authors: | Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E. | | Deposit date: | 2022-11-24 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
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8J19
 | | Cryo-EM structure of the LY237-bound GPR84 receptor-Gi complex | | Descriptor: | 6-nonylpyridine-2,4-diol, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8J1A
 | | Cryo-EM structure of the GPR84 receptor-Gi complex with no ligand modeled | | Descriptor: | Antibody fragment ScFv16, G-protein coupled receptor 84, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (3.24 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8J18
 | | Cryo-EM structure of the 3-OH-C12-bound GPR84 receptor-Gi complex | | Descriptor: | (3R)-3-HYDROXYDODECANOIC ACID, Antibody fragment ScFv16, G-protein coupled receptor 84, ... | | Authors: | Liu, H, Yin, W, Xu, H.E. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structural insights into ligand recognition and activation of the medium-chain fatty acid-sensing receptor GPR84.
Nat Commun, 14, 2023
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8I2H
 | | Follicle stimulating hormone receptor | | Descriptor: | Follicle-stimulating hormone receptor | | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | | Deposit date: | 2023-01-14 | | Release date: | 2023-03-22 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (6 Å) | | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
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8I2G
 | | FSHR-Follicle stimulating hormone-compound 716340-Gs complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | | Authors: | Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E. | | Deposit date: | 2023-01-14 | | Release date: | 2023-03-29 | | Last modified: | 2023-04-05 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
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5Z1V
 | | Crystal structure of AvrPib | | Descriptor: | AvrPib protein | | Authors: | Zhang, X, He, D, Zhao, Y.X, Taylor, I.A, Peng, Y.L, Yang, J, Liu, J.F. | | Deposit date: | 2017-12-28 | | Release date: | 2018-09-05 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | A positive-charged patch and stabilized hydrophobic core are essential for avirulence function of AvrPib in the rice blast fungus.
Plant J., 96, 2018
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6M0K
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11b | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | Deposit date: | 2020-02-22 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.504 Å) | | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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6LZE
 | | The crystal structure of COVID-19 main protease in complex with an inhibitor 11a | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H. | | Deposit date: | 2020-02-19 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.505 Å) | | Cite: | Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
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5X0W
 | | Molecular mechanism for the binding between Sharpin and HOIP | | Descriptor: | E3 ubiquitin-protein ligase RNF31, Sharpin | | Authors: | Liu, J, Li, F, Cheng, X, Pan, L. | | Deposit date: | 2017-01-23 | | Release date: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into SHARPIN-Mediated Activation of HOIP for the Linear Ubiquitin Chain Assembly
Cell Rep, 21, 2017
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7UPE
 | | Tau Paired Helical Filament from Alzheimer's Disease not incubated with EGCG | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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7UPF
 | | Tau Paired Helical Filament from Alzheimer's Disease incubated 1 hr. with EGCG | | Descriptor: | Isoform Tau-F of Microtubule-associated protein tau | | Authors: | Seidler, P.M, Murray, K.A, Boyer, D.R, Ge, P, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2022-04-15 | | Release date: | 2022-09-28 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based discovery of small molecules that disaggregate Alzheimer's disease tissue derived tau fibrils in vitro.
Nat Commun, 13, 2022
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