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Structure paper

TitleStructure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors.
Journal, issue, pagesNat Commun, Vol. 12, Page 743-743, Year 2021
Publish dateApr 29, 2020 (structure data deposition date)
AuthorsOsipiuk, J. / Azizi, S.A. / Dvorkin, S. / Endres, M. / Jedrzejczak, R. / Jones, K.A. / Kang, S. / Kathayat, R.S. / Kim, Y. / Lisnyak, V.G. ...Osipiuk, J. / Azizi, S.A. / Dvorkin, S. / Endres, M. / Jedrzejczak, R. / Jones, K.A. / Kang, S. / Kathayat, R.S. / Kim, Y. / Lisnyak, V.G. / Maki, S.L. / Nicolaescu, V. / Taylor, C.A. / Tesar, C. / Zhang, Y.A. / Zhou, Z. / Randall, G. / Michalska, K. / Snyder, S.A. / Dickinson, B.C. / Joachimiak, A.
External linksNat Commun / PubMed:33531496
MethodsX-ray diffraction
Resolution1.6 - 2.48 Å
Structure data

PDB-6wrh:
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6wzu:
The crystal structure of Papain-Like Protease of SARS CoV-2 , P3221 space group
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-6xg3:
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, at room temperature
Method: X-RAY DIFFRACTION / Resolution: 2.48 Å

PDB-7jir:
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.09 Å

PDB-7jit:
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder495 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-7jiv:
The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-7jiw:
The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder530 inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CL:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-TTT:
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-ACT:
ACETATE ION

ChemComp-Y95:
5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

ChemComp-VBY:
5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsHYDROLASE / covid-19 / coronavirus / SARS / CoV-2 / papain-like protease / IDP51000 / Center for Structural Genomics of Infectious Diseases / CSGID / HYDROLASE/HYDROLASE inhibitor / HYDROLASE-HYDROLASE inhibitor complex

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