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Structure paper

TitleIn crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
Journal, issue, pagesJ Struct Biol X, Vol. 4, Page 100031-100031, Year 2020
Publish dateOct 5, 2019 (structure data deposition date)
AuthorsGuo, J. / Douangamath, A. / Song, W. / Coker, A.R. / Chan, A.W.E. / Wood, S.P. / Cooper, J.B. / Resnick, E. / London, N. / Delft, F.V.
External linksJ Struct Biol X / PubMed:32743543
MethodsX-ray diffraction
Resolution1.3 - 2.07 Å
Structure data

PDB-6t1q:
3C-like protease from Southampton norovirus.
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-6t2i:
3C-like protease from Southampton virus complexed with FMOPL000157a.
Method: X-RAY DIFFRACTION / Resolution: 1.61 Å

PDB-6t2x:
3C-like protease from Southampton virus complexed with FMOPL000004a.
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-6t3g:
3C-like protease from Southampton virus complexed with FMOPL000324a.
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-6t49:
3C-like protease from Southampton virus complexed with FMOPL000582a.
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-6t4e:
Native C3-like protease from Southampton virus complexed with FMOPL000287a.
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-6t4s:
3C-like protease from Southampton virus complexed with FMOPL000013a.
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-6t5d:
3C-like protease from Southampton virus complexed with FMOPL000014a.
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

PDB-6t5r:
3C-like protease from Southampton virus complexed with FMOPL000091a.
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-6t6w:
3C-like protease from Southampton virus complexed with XST00000692b.
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6t71:
3C-like protease from Southampton virus complexed with XST00000375b.
Method: X-RAY DIFFRACTION / Resolution: 1.52 Å

PDB-6t82:
3C-like protease from Southampton virus complexed with FMOPL000542a.
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

PDB-6t8r:
3C-like protease from Southampton virus complexed with FMOPL000605a.
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-6t8t:
3C-like protease from Southampton virus complexed with FMOPL000603a.
Method: X-RAY DIFFRACTION / Resolution: 1.68 Å

PDB-6tal:
3C-like protease from Southampton virus complexed with FMOPL000227a.
Method: X-RAY DIFFRACTION / Resolution: 1.51 Å

PDB-6taw:
3C-like protease from Southampton virus complexed with FMOPL000411a.
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-6tbo:
3C-like protease from Southampton virus complexed with FMOPL000363a.
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-6tbp:
3C-like protease from Southampton virus complexed with FMOPL000490a.
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-6tc1:
3C-like protease from Southampton virus complexed with FMOPL000283a.
Method: X-RAY DIFFRACTION / Resolution: 1.67 Å

PDB-6tcf:
3C-like protease from Southampton virus complexed with XST00000642b.
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-6tgl:
3c-like protease from Southampton virus complexed with FMOPL000644a.
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-HOH:
WATER / Water

ChemComp-JFM:
N-(2-phenylethyl)methanesulfonamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM / Dimethyl sulfoxide

ChemComp-PO4:
PHOSPHATE ION / Phosphate

ChemComp-JFJ:
1-(3-chlorophenyl)-N-methylmethanamine

ChemComp-JOV:
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

ChemComp-MH5:
3-[(5-methylthiophen-2-yl)methylamino]benzoic acid

ChemComp-HWH:
~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide

ChemComp-K2P:
2-(trifluoromethoxy)benzoic acid

ChemComp-MJW:
2-phenylmethoxyaniline

ChemComp-MKN:
3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole

ChemComp-JL7:
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid

ChemComp-MQB:
2-(1-benzofuran-3-yl)ethanoic acid

ChemComp-MUK:
4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine / Pyrimethanil

ChemComp-GVY:
4-(5-amino-1,3,4-thiadiazol-2-yl)phenol

ChemComp-YI6:
2-(4-ethoxyphenyl)ethanoic acid

ChemComp-TFA:
trifluoroacetic acid / Trifluoroacetic acid

ChemComp-MZW:
5-ethyl-1,3,4-thiadiazol-2-amine

ChemComp-N08:
~{N}-[2-(4-fluorophenyl)ethyl]furan-2-carboxamide

ChemComp-N0E:
~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide

ChemComp-N0H:
~{N}-(2-hydroxyphenyl)-2-phenoxy-ethanamide

ChemComp-N1E:
methyl quinoline-6-carboxylate

ChemComp-LVP:
~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide

Source
  • southampton virus (serotype 3)
  • southampton virus (strain gi/human/united kingdom/southampton/1991)
KeywordsHYDROLASE / Viral protease.

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