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TitleSynthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 4971-4980, Year 2006
Publish dateMay 8, 2006 (structure data deposition date)
AuthorsYang, S. / Chen, S.J. / Hsu, M.F. / Wu, J.D. / Tseng, C.T. / Liu, Y.F. / Chen, H.C. / Kuo, C.W. / Wu, C.S. / Chang, L.W. ...Yang, S. / Chen, S.J. / Hsu, M.F. / Wu, J.D. / Tseng, C.T. / Liu, Y.F. / Chen, H.C. / Kuo, C.W. / Wu, C.S. / Chang, L.W. / Chen, W.C. / Liao, S.Y. / Chang, T.Y. / Hung, H.H. / Shr, H.L. / Liu, C.Y. / Huang, Y.A. / Chang, L.Y. / Hsu, J.C. / Peters, C.J. / Wang, A.H. / Hsu, M.C.
External linksJ. Med. Chem. / PubMed:16884309
MethodsX-ray diffraction
Resolution1.93 Å
Structure data

PDB-2gx4:
Crystal structure of SARS coronavirus 3CL protease inhibitor complex
Method: X-RAY DIFFRACTION / Resolution: 1.93 Å

Chemicals

ChemComp-NOL:
N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE

ChemComp-HOH:
WATER

Source
  • sars coronavirus
KeywordsHYDROLASE / SARS / 3CL protease / inhibitor complex

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