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TitleStructure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of Severe Acute Respiratory Syndrome Coronavirus Main Protease
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 5154-5161, Year 2006
Publish dateMay 11, 2006 (structure data deposition date)
AuthorsLu, I.L. / Mahindroo, N. / Liang, P.H. / Peng, Y.H. / Kuo, C.J. / Tsai, K.C. / Hsieh, H.P. / Chao, Y.S. / Wu, S.Y.
External linksJ. Med. Chem. / PubMed:16913704
MethodsX-ray diffraction
Resolution1.856 - 2.17 Å
Structure data

PDB-2gz7:
Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
Method: X-RAY DIFFRACTION / Resolution: 1.856 Å

PDB-2gz8:
Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

PDB-2gz9:
Structure-Based Drug Design and Structural Biology Study of Novel Nonpeptide Inhibitors of SARS-CoV Main Protease
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

Chemicals

ChemComp-D3F:
2-[(2,4-DICHLORO-5-METHYLPHENYL)SULFONYL]-1,3-DINITRO-5-(TRIFLUOROMETHYL)BENZENE

ChemComp-HOH:
WATER

ChemComp-F3F:
S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE

Source
  • sars coronavirus
KeywordsHYDROLASE / SARS CoV main protease

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