Current Protein Identity:A0A8F2ZG71
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 9IR8 CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 6 Deposited 2024-07-15 | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain A
2881–3182(302 aa)
Chain D
2881–3182(302 aa)
|
Not recorded | A1D7M (2~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]amino]-4-methyl-pentanamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.12 Å R-free 0.273 |
| 9IR8 CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 6 Deposited 2024-07-15 | Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain B
2881–3182(302 aa)
Chain C
2881–3182(302 aa)
|
Not recorded | A1D7M (2~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]amino]-4-methyl-pentanamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.12 Å R-free 0.273 |
| 9UOP Crystal structure of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 8 Deposited 2025-04-26 | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain A
2881–3182(302 aa)
Chain C
2881–3182(302 aa)
|
Not recorded | A1EPZ (2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;20% (w/v) PEG3350, 200 mM Lithium citrate tribasic tetrahydrate, pH8.4
|
Resolution 1.61 Å R-free 0.230 |
| 9UOP Crystal structure of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 8 Deposited 2025-04-26 | Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain B
2881–3182(302 aa)
Chain D
2881–3182(302 aa)
|
Not recorded | A1EPZ (2~{S})-2-[[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]amino]-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]pentanamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;20% (w/v) PEG3350, 200 mM Lithium citrate tribasic tetrahydrate, pH8.4
|
Resolution 1.61 Å R-free 0.230 |
| 9X7E Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with nirmatrelvir Deposited 2025-10-16 | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain A
2881–3182(302 aa)
Chain C
2881–3182(302 aa)
|
Not recorded | 4WI (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.37 Å R-free 0.300 |
| 9X7E Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with nirmatrelvir Deposited 2025-10-16 | Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain B
2881–3182(302 aa)
Chain F
2881–3182(302 aa)
|
Not recorded | 4WI (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.37 Å R-free 0.300 |
| 9X7E Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with nirmatrelvir Deposited 2025-10-16 | Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain D
2881–3182(302 aa)
Chain G
2881–3182(302 aa)
|
Not recorded | 4WI (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.37 Å R-free 0.300 |
| 9X7E Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with nirmatrelvir Deposited 2025-10-16 | Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain E
2881–3182(302 aa)
Chain H
2881–3182(302 aa)
|
Not recorded | 4WI (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide × 1 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.37 Å R-free 0.300 |
| 9X7I Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 3 Deposited 2025-10-16 | Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain A
2881–3182(302 aa)
Chain C
2881–3182(302 aa)
|
Not recorded | A1D7N (1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.23 Å R-free 0.280 |
| 9X7I Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 3 Deposited 2025-10-16 | Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain B
2881–3182(302 aa)
Chain D
2881–3182(302 aa)
|
Not recorded | A1D7N (1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.23 Å R-free 0.280 |
| 9X7I Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 3 Deposited 2025-10-16 | Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain E
2881–3182(302 aa)
Chain H
2881–3182(302 aa)
|
Not recorded | A1D7N (1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.23 Å R-free 0.280 |
| 9X7I Crystal of CCoV-HuPn-2018 3CL protease (3CLpro) in complex with compound 3 Deposited 2025-10-16 | Assembly 4 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count |
Chain F
2881–3182(302 aa)
Chain G
2881–3182(302 aa)
|
Not recorded | A1D7N (1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-azanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-(methylsulfonylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide × 2 | X-RAY DIFFRACTION |
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;12% PEG3350, 100 mM sodium malonate, pH 5.0
|
Resolution 2.23 Å R-free 0.280 |