6D39
 
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6D38
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7F43
 | | PARP15 catalytic domain in complex with Niraparib | | Descriptor: | 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Zhou, X.L, Zhou, H, Li, J, Zhang, J. | | Deposit date: | 2021-06-17 | | Release date: | 2022-06-22 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Crystal structures of the catalytic domain of human PARP15 in complex with small molecule inhibitors
Biochem.Biophys.Res.Commun., 622, 2022
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7F41
 | | PARP15 catalytic domain in complex with 3-AMINOBENZAMIDE | | Descriptor: | 3-aminobenzamide, Protein mono-ADP-ribosyltransferase PARP15 | | Authors: | Zhou, X.L, Zhong, F.L, Li, J, Zhang, J. | | Deposit date: | 2021-06-17 | | Release date: | 2022-06-22 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (1.39721382 Å) | | Cite: | Crystal structures of the catalytic domain of human PARP15 in complex with small molecule inhibitors
Biochem.Biophys.Res.Commun., 622, 2022
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8K4F
 | | DHODH in complex with compound A0 | | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | | Authors: | Jian, L, Sun, Q. | | Deposit date: | 2023-07-18 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease.
J.Med.Chem., 66, 2023
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8I5N
 | | Rat Kir4.1 in complex with PIP2 and Lys05 | | Descriptor: | ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Zhao, C, Guo, J. | | Deposit date: | 2023-01-26 | | Release date: | 2024-02-28 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
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8I5M
 | | Rat Kir4.1 in complex with PIP2 | | Descriptor: | ATP-sensitive inward rectifier potassium channel 10, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | | Authors: | Zhao, C, Guo, J. | | Deposit date: | 2023-01-26 | | Release date: | 2024-02-28 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Pharmacological inhibition of Kir4.1 evokes rapid-onset antidepressant responses.
Nat.Chem.Biol., 20, 2024
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9JTA
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8J37
 | | Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J35
 | | Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J3A
 | | Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J32
 | | Crystal structure of SARS-Cov-2 main protease in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J38
 | | Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J34
 | | Crystal structure of MERS main protease in complex with PF00835231 | | Descriptor: | N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J3B
 | | Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J39
 | | Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-04-17 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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8J36
 | | Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231 | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J. | | Deposit date: | 2023-04-16 | | Release date: | 2024-05-01 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for the inhibition of coronaviral main proteases by PF-00835231.
Acta Biochim.Biophys.Sin., 56, 2024
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7MF1
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2021-04-08 | | Release date: | 2021-05-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2.
Cell Rep, 35, 2021
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8HCO
 | | Substrate-engaged TOM complex from yeast | | Descriptor: | Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, Mitochondrial import receptor subunit TOM5, ... | | Authors: | Zhou, X.Y, Yang, Y.Q, Wang, G.P, Wang, S.S. | | Deposit date: | 2022-11-02 | | Release date: | 2023-09-13 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Molecular pathway of mitochondrial preprotein import through the TOM-TIM23 supercomplex.
Nat.Struct.Mol.Biol., 30, 2023
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7C2Q
 | | The crystal structure of COVID-19 main protease in the apo state | | Descriptor: | 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J. | | Deposit date: | 2020-05-08 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
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6L6Z
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9JWG
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9JW1
 | | Cryo-EM structure of Human RNF213 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ring finger protein 213 | | Authors: | Zhang, H. | | Deposit date: | 2024-10-09 | | Release date: | 2025-05-07 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Shigella effector IpaH1.4 subverts host E3 ligase RNF213 to evade antibacterial immunity.
Nat Commun, 16, 2025
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8SMK
 | | hPAD4 bound to Activating Fab hA362 | | Descriptor: | Activating Fab 362 heavy chain, Activating Fab 362 light chain, CALCIUM ION, ... | | Authors: | Maker, A, Verba, K.A. | | Deposit date: | 2023-04-26 | | Release date: | 2024-03-06 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Antibody discovery identifies regulatory mechanisms of protein arginine deiminase 4.
Nat.Chem.Biol., 20, 2024
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8SML
 | | hPAD4 bound to inhibitory Fab hI365 | | Descriptor: | CALCIUM ION, Fab hI365 heavy chain, Fab hI365 light chain, ... | | Authors: | Maker, A, Verba, K.A. | | Deposit date: | 2023-04-26 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Antibody discovery identifies regulatory mechanisms of protein arginine deiminase 4.
Nat.Chem.Biol., 20, 2024
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