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Structure paper

TitleStructural Basis of Inhibition Specificities of 3C and 3C-like Proteases by Zinc-coordinating and Peptidomimetic Compounds
Journal, issue, pagesJ. Biol. Chem., Vol. 284, Page 7646-7655, Year 2009
Publish dateOct 10, 2008 (structure data deposition date)
AuthorsLee, C.C. / Kuo, C.J. / Ko, T.P. / Hsu, M.F. / Tsui, Y.C. / Chang, S.C. / Yang, S. / Chen, S.J. / Chen, H.C. / Hsu, M.C. ...Lee, C.C. / Kuo, C.J. / Ko, T.P. / Hsu, M.F. / Tsui, Y.C. / Chang, S.C. / Yang, S. / Chen, S.J. / Chen, H.C. / Hsu, M.C. / Shih, S.R. / Liang, P.H. / Wang, A.H.-J.
External linksJ. Biol. Chem. / PubMed:19144641
MethodsX-ray diffraction
Resolution1.38 - 2 Å
Structure data

PDB-2ztx:
Complex structure of CVB3 3C protease with EPDTC
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-2zty:
crystal structure of 3C protease from CVB3 in space group C2
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-2ztz:
crystal structure of 3C protease from CVB3 in space group P21
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-2zu1:
crystal structure of CVB3 3C protease mutant C147A
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-2zu2:
complex structure of CoV 229E 3CL protease with EPDTC
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2zu3:
Complex structure of CVB3 3C protease with TG-0204998
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-2zu4:
Complex structure of SARS-CoV 3CL protease with TG-0204998
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

PDB-2zu5:
complex structure of SARS-CoV 3CL protease with TG-0205486
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-DTZ:
zinc(II)hydrogensulfide

ChemComp-HOH:
WATER / Water

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM / 2-Methyl-2,4-pentanediol

ChemComp-ZU3:
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide

ChemComp-ZU5:
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide

Source
  • human coxsackievirus b3
  • human coronavirus
  • human coxsackievirus
  • sars coronavirus
KeywordsHYDROLASE/HYDROLASE INHIBITOR / protease-inhibitor complex / Hydrolase / Protease / Thiol protease / HYDROLASE-HYDROLASE INHIBITOR complex / Metal-binding

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