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1. WO2004101781 - CRYSTAL STRUCTURE OF HUMAN CORONAVIRUS 229E MAIN PROTEINASE, AND USES THEREOF FOR DEVELOPING SARS INHIBITORS

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[ EN ]

WHAT IS CLAIMED IS:

1. A composition-of-matter comprising a crystallized complex including a porcine transmissible gastroenteritis (corona)virus (TGEV) main proteinase and an inhibitor thereof

2. A computing platform for generating a 3D atomic structure model of at least a portion of a complex including at least a porcine transmissible gastroenteritis (corona)virus (TGEV) main proteinase, the computing platform comprising:

(a) a data-storage device storing data comprising a set of structure coordinates defining at least a portion of a 3D atomic structure of the complex; and

(b) a processing unit being for generating the 3D atomic structure model from said data stored in said data-storage device.

3. A computer readable medium comprising, in a retrievable format, data including a set of structure coordinates defining at least a portion of a 3D atomic structure of a porcine transmissible gastroenteritis (corona)virus (TGEV) main proteinase.

4. A computer generated model representing at least a portion of a 3D atomic structure of a porcine transmissible gastroenteritis (corona)virus (TGEV) main proteinase.

5. A method of treating SARS in an individual comprising administering to the individual a therapeutically effective amount of a peptide inhibitor capable of binding corona virus main proteinase, thereby treating SARS in the individual.

6. A method of designing a SARS inhibitor comprising utilizing the following three sets of atomic coordinates:(l) crystal structure of human coronavirus 229E (HCoV) main proteinase (PDB file no. 1) (2) model structure of SARS-associated coronavirus (SARS-CoV) main proteinase, based on the crystal structure in claim Al (PDB file no. 2) and (3) crystal structure of transmissible gastroenteritis virus (TGEV) main proteinase in complex with a hexapeptidyl chloromethylketone inhibitor (PDB file no. 3) in modeling SARSprotease inhibition, thereby designing a SARS inhibitor.

7. A method to produce enzymatically active SARS-CoV main proteinase and modifications (mutants) thereof

8. The use of Michael acceptor compounds having α,β-unsaturated carbonyl groups as inhibitors for coronavirus main proteinases