Database of articles cited by EMDB/PDB/SASBDB data

Keywords
Structure methods	All X-ray diffraction NMR electron microscopy small angle scattering neutron diffraction fiber diffraction powder diffraction infrared spectroscopy EPR fluorescence transfer theoretical model Hybrid
Author
Journal
IF	>30 >20 >10 >5 all

Title	Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Journal, issue, pages	Commun Biol, Vol. 6, Page 1058-1058, Year 2023
Publish date	Dec 10, 2021 (structure data deposition date)
Authors	Reinke, P.Y.A. / de Souza, E.E. / Gunther, S. / Falke, S. / Lieske, J. / Ewert, W. / Loboda, J. / Herrmann, A. / Rahmani Mashhour, A. / Karnicar, K. ...Reinke, P.Y.A. / de Souza, E.E. / Gunther, S. / Falke, S. / Lieske, J. / Ewert, W. / Loboda, J. / Herrmann, A. / Rahmani Mashhour, A. / Karnicar, K. / Usenik, A. / Lindic, N. / Sekirnik, A. / Botosso, V.F. / Santelli, G.M.M. / Kapronezai, J. / de Araujo, M.V. / Silva-Pereira, T.T. / Filho, A.F.S. / Tavares, M.S. / Florez-Alvarez, L. / de Oliveira, D.B.L. / Durigon, E.L. / Giaretta, P.R. / Heinemann, M.B. / Hauser, M. / Seychell, B. / Bohler, H. / Rut, W. / Drag, M. / Beck, T. / Cox, R. / Chapman, H.N. / Betzel, C. / Brehm, W. / Hinrichs, W. / Ebert, G. / Latham, S.L. / Guimaraes, A.M.S. / Turk, D. / Wrenger, C. / Meents, A.
External links	Commun Biol / PubMed:37853179
Methods	X-ray diffraction
Resolution	1.3 - 2 Å
Structure data	PDB-7qgw: Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections Method: X-RAY DIFFRACTION / Resolution: 1.3 Å PDB-7qka: Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-7qkb: Crystal structure of human Cathepsin L in complex with covalently bound GC376 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-7qkc: Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin Method: X-RAY DIFFRACTION / Resolution: 1.69 Å PDB-7z3t: Crystal structure of apo human Cathepsin L Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-7z3u: Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin Method: X-RAY DIFFRACTION / Resolution: 1.72 Å PDB-7z58: Crystal structure of human Cathepsin L in complex with covalently bound Calpeptin Method: X-RAY DIFFRACTION / Resolution: 1.35 Å PDB-8c3d: Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections Method: X-RAY DIFFRACTION / Resolution: 2 Å
Chemicals	ChemComp-CL: Unknown entry ChemComp-MPD: (4S)-2-METHYL-2,4-PENTANEDIOL / precipitantYM ChemComp-GOL: GLYCEROL ChemComp-RN2: Calpeptin ChemComp-HOH: WATER ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-UED: N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide ChemComp-PEG: DI(HYDROXYETHYL)ETHER ChemComp-NA: Unknown entry ChemComp-PGE: TRIETHYLENE GLYCOL ChemComp-PG4: TETRAETHYLENE GLYCOL / precipitantYM ChemComp-P6G: HEXAETHYLENE GLYCOL / precipitantYM ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-1PE: PENTAETHYLENE GLYCOL / precipitantYM ChemComp-CA*: Unknown entry
Source	homo sapiens (human) severe acute respiratory syndrome coronavirus 2 synthetic construct (others)
Keywords	HYDROLASE / cathepsin / inhibitor / main protease / MPro / cystein protease / drug development / drug target / peptide-like inhibitor / SARS-CoV-2 / COVID-19 / lysosome / protein degradation / spike protein maturation