7F25
 
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7E3U
 | | Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-AU | | Descriptor: | 5-AMINO-1H-PYRIMIDINE-2,4-DIONE, D-hydantoinase/dihydropyrimidinase, ZINC ION | | Authors: | Yang, Y.C, Luo, R.H, Huang, Y.H, Huang, C.Y, Lin, E.S. | | Deposit date: | 2021-02-09 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.159 Å) | | Cite: | Molecular Insights into How the Dimetal Center in Dihydropyrimidinase Can Bind the Thymine Antagonist 5-Aminouracil: A Different Binding Mode from the Anticancer Drug 5-Fluorouracil.
Bioinorg Chem Appl, 2022, 2022
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1P7O
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1OZY
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6AKY
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide, C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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6AKX
 | | The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21 | | Descriptor: | C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5, N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octan-8-yl}-1-(thiophen-2-yl)propyl]cyclopentanecarboxamide, NITRATE ION, ... | | Authors: | Zhu, Y, Zhao, Q, Wu, B. | | Deposit date: | 2018-09-04 | | Release date: | 2018-10-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure-Based Design of 1-Heteroaryl-1,3-propanediamine Derivatives as a Novel Series of CC-Chemokine Receptor 5 Antagonists.
J. Med. Chem., 61, 2018
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7VUM
 | | Crystal structure of SSB complexed with que | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Single-stranded DNA-binding protein | | Authors: | Lin, E.S, Huang, Y.H, Huang, C.Y. | | Deposit date: | 2021-11-03 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.319 Å) | | Cite: | A Complexed Crystal Structure of a Single-Stranded DNA-Binding Protein with Quercetin and the Structural Basis of Flavonol Inhibition Specificity.
Int J Mol Sci, 23, 2022
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7WXZ
 | | Crystal structure of the recombinant protein HR121 from the S2 protein of SARS-CoV-2 | | Descriptor: | Spike protein S2' | | Authors: | Zheng, Y.T, Ouyang, S, Pang, W, Lu, Y, Zhao, Y.B. | | Deposit date: | 2022-02-15 | | Release date: | 2022-11-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | A variant-proof SARS-CoV-2 vaccine targeting HR1 domain in S2 subunit of spike protein.
Cell Res., 32, 2022
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7C7P
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir | | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J. | | Deposit date: | 2020-05-26 | | Release date: | 2020-07-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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7D3I
 | | Crystal structure of SARS-CoV-2 main protease in complex with MI-23 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase | | Authors: | Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J. | | Deposit date: | 2020-09-19 | | Release date: | 2020-10-07 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.004 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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7COM
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121) | | Descriptor: | 3C-like proteinase, boceprevir (bound form) | | Authors: | Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J. | | Deposit date: | 2020-08-04 | | Release date: | 2020-08-19 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
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