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-Structure paper
Title | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic. |
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Journal, issue, pages | J. Med. Chem., Vol. 67, Page 3935-3958, Year 2024 |
Publish date | Oct 23, 2023 (structure data deposition date) |
Authors | Shurtleff, V.W. / Layton, M.E. / Parish, C.A. / Perkins, J.J. / Schreier, J.D. / Wang, Y. / Adam, G.C. / Alvarez, N. / Bahmanjah, S. / Bahnck-Teets, C.M. ...Shurtleff, V.W. / Layton, M.E. / Parish, C.A. / Perkins, J.J. / Schreier, J.D. / Wang, Y. / Adam, G.C. / Alvarez, N. / Bahmanjah, S. / Bahnck-Teets, C.M. / Boyce, C.W. / Burlein, C. / Cabalu, T.D. / Campbell, B.T. / Carroll, S.S. / Chang, W. / de Lera Ruiz, M. / Dolgov, E. / Fay, J.F. / Fox, N.G. / Goh, S.L. / Hartingh, T.J. / Hurzy, D.M. / Kelly 3rd, M.J. / Klein, D.J. / Klingler, F.M. / Krishnamurthy, H. / Kudalkar, S. / Mayhood, T.W. / McKenna, P.M. / Murray, E.M. / Nahas, D. / Nawrat, C.C. / Park, S. / Qian, D. / Roecker, A.J. / Sharma, V. / Shipe, W.D. / Su, J. / Taggart, R.V. / Truong, Q. / Wu, Y. / Zhou, X. / Zhuang, N. / Perlin, D.S. / Olsen, D.B. / Howe, J.A. / McCauley, J.A. |
External links | J. Med. Chem. / PubMed:38365209 |
Methods | X-ray diffraction |
Resolution | 1.44 - 2.44 Å |
Structure data | PDB-8ups: PDB-8upv: PDB-8upw: PDB-8ute: |
Chemicals | ChemComp-I70: ChemComp-PO4: ChemComp-HOH:
ChemComp-X83:
ChemComp-X8F:
ChemComp-XKQ: ChemComp-EDO: |
Source |
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Keywords | VIRAL PROTEIN / HYDROLASE/INHIBITOR / 3CL Pro / MPro / inhibitor / HYDROLASE-INHIBITOR complex |