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Structure paper

TitleStructural basis for inhibition of the SARS-CoV-2 nsp16 by substrate-based dual site inhibitors.
Journal, issue, pagesChemmedchem, Page e202400618-e202400618, Year 2024
Publish dateJan 31, 2024 (structure data deposition date)
AuthorsKalnins, G. / Rudusa, L. / Bula, A. / Zelencova-Gopejenko, D. / Bobileva, O. / Sisovs, M. / Tars, K. / Jirgensons, A. / Jaudzems, K. / Bobrovs, R.
External linksChemmedchem / PubMed:39258386
MethodsX-ray diffraction
Resolution1.7 - 2.35 Å
Structure data

PDB-8rv4:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-8rv5:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 1
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

PDB-8rv6:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 2
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-8rv7:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 4
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8rv8:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 5
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-8rv9:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 6
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-8rva:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 7
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-8rvb:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 8
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-8rzc:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 11
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-8rzd:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 9
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8rze:
SARS-CoV-2 nsp16-nsp10 in complex with SAM derivative inhibitor 10
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

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

PDB-1h3c:
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-MTA:
5'-DEOXY-5'-METHYLTHIOADENOSINE

PDB-1h3b:
Squalene-Hopene Cyclase

ChemComp-GOL:
GLYCEROL

PDB-1h3e:
Tyrosyl-tRNA synthetase from Thermus thermophilus complexed with wild-type tRNAtyr(GUA) and with ATP and tyrosinol

PDB-1h28:
CDK2/CyclinA in complex with an 11-residue recruitment peptide from p107

PDB-1h3a:
Structures of Human Oxidosqualene Cyclase Inhibitors Bound to an Homologous Enzyme

PDB-1h3d:
STRUCTURE OF THE E.COLI ATP-PHOSPHORIBOSYLTRANSFERASE

PDB-1h29:
Sulfate respiration in Desulfovibrio vulgaris Hildenborough: Structure of the 16-heme Cytochrome c HmcA at 2.5 A resolution and a view of its role in transmembrane electron transfer

PDB-1h4d:
Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA

PDB-1h4c:
Biochemical and Structural Analysis of the Molybdenum Cofactor Biosynthesis protein MobA

PDB-1h4b:
SOLUTION STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 4

Source
  • severe acute respiratory syndrome coronavirus 2
KeywordsVIRAL PROTEIN / nsp16 / nsp10 / 2'-O-methyltransferase

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