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TitleDesign of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Journal, issue, pagesPlos Biol., Vol. 3, Page 324-334, Year 2005
Publish dateAug 18, 2004 (structure data deposition date)
AuthorsYang, H. / Xie, W. / Xue, X. / Yang, K. / Ma, J. / Liang, W. / Zhao, Q. / Zhou, Z. / Pei, D. / Ziebuhr, J. ...Yang, H. / Xie, W. / Xue, X. / Yang, K. / Ma, J. / Liang, W. / Zhao, Q. / Zhou, Z. / Pei, D. / Ziebuhr, J. / Hilgenfeld, R. / Yuen, K.Y. / Wong, L. / Gao, G. / Chen, S. / Chen, Z. / Ma, D. / Bartlam, M. / Rao, Z.
External linksPlos Biol. / PubMed:16128623
MethodsX-ray diffraction
Resolution1.85 - 2.7 Å
Structure data

PDB-1wof:
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor N1
Method: X-RAY DIFFRACTION / Resolution: 2.0 Å

PDB-2amd:
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N9
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-2amp:
Crystal Structure Of Porcine Transmissible Gastroenteritis Virus Mpro in Complex with an Inhibitor N1
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-2amq:
Crystal Structure Of SARS_CoV Mpro in Complex with an Inhibitor N3
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-2d2d:
Crystal Structure Of SARS-CoV Mpro in Complex with an Inhibitor I2
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-I12:
N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE

ChemComp-HOH:
WATER / Water

ChemComp-9IN:
N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE

ChemComp-ENB:
ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE

Source
  • sars coronavirus
  • transmissible gastroenteritis virus
  • synthetic construct (others)
KeywordsHYDROLASE / ANTI-PARALLEL B-BARREL / ANTI-PARALLEL A-HELICES

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