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	Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
Journal, issue, pages	J. Med. Chem., Year 2024
Publish date	Dec 17, 2021 (structure data deposition date)
Authors	Falke, S. / Lieske, J. / Herrmann, A. / Loboda, J. / Karnicar, K. / Gunther, S. / Reinke, P.Y.A. / Ewert, W. / Usenik, A. / Lindic, N. ...Falke, S. / Lieske, J. / Herrmann, A. / Loboda, J. / Karnicar, K. / Gunther, S. / Reinke, P.Y.A. / Ewert, W. / Usenik, A. / Lindic, N. / Sekirnik, A. / Dretnik, K. / Tsuge, H. / Turk, V. / Chapman, H.N. / Hinrichs, W. / Ebert, G. / Turk, D. / Meents, A.
External links	J. Med. Chem. / PubMed:38630165
Methods	X-ray diffraction
Resolution	1.4 - 1.9 Å
Structure data	PDB-7qkd: Crystal structure of human Cathepsin L in complex with covalently bound MG132 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-7zs7: Crystal structure of human cathepsin L with covalently bound calpain inhibitor VI Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-7zvf: Crystal structure of human cathepsin L in complex with covalently bound CLIK148 Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-7zxa: Crystal structure of human cathepsin L with covalently bound aloxistatin (E-64D) Method: X-RAY DIFFRACTION / Resolution: 1.6 Å PDB-8a4u: Crystal structure of human cathepsin L with CAA0225 Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-8a4v: Crystal structure of human cathepsin L with covalently bound E-64 Method: X-RAY DIFFRACTION / Resolution: 1.65 Å PDB-8a4w: Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV Method: X-RAY DIFFRACTION / Resolution: 1.4 Å PDB-8a4x: Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-8a5b: Crystal structure of human cathepsin L in complex with covalently bound MG-101 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-8ahv: Crystal structure of human cathepsin L in complex with calpain inhibitor XII Method: X-RAY DIFFRACTION / Resolution: 1.7 Å PDB-8b4f: Crystal structure of human cathepsin L forming a thiohemiacetal with N-Boc-2-aminoacetaldehyde Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-8c77: Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315 Method: X-RAY DIFFRACTION / Resolution: 1.7 Å PDB-8ofa: Crystal structure of human cathepsin L interacting with tosyl phenylalanyl chloromethyl ketone (TPCK) Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-8oza: Human cathepsin L in complex with covalently bound CA-074 methyl ester Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-8prx: Crystal structure of human cathepsin L after reaction with the bound ketoamide inhibitor 13b Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-8qkb: Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777 Method: X-RAY DIFFRACTION / Resolution: 1.6 Å
Chemicals	ChemComp-ALD: N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide ChemComp-PEG: DI(HYDROXYETHYL)ETHER ChemComp-ACT: ACETATE ION ChemComp-HOH: WATER ChemComp-JQO: (2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]butanamide ChemComp-DMS: DIMETHYL SULFOXIDE / DMSO, precipitantYM ChemComp-KXL: (2S)-N-[(2S)-1-(dimethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-2-oxidanyl-N'-(2-pyridin-2-ylethyl)butanediamide ChemComp-PG4: TETRAETHYLENE GLYCOL / precipitantYM ChemComp-1PE: PENTAETHYLENE GLYCOL / precipitantYM ChemComp-NA: Unknown entry ChemComp-EDO: 1,2-ETHANEDIOL ChemComp-E6D: ethyl (3S)-3-hydroxy-4-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}amino)-4-oxobutanoate ChemComp-PGE: TRIETHYLENE GLYCOL ChemComp-P6G: HEXAETHYLENE GLYCOL / precipitantYM ChemComp-L2X: (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide ChemComp-E64: N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE ChemComp-L2F: N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol ChemComp-L3F: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate ChemComp-M6L: (phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S},3~{S})-2-oxidanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]pentan-2-yl]carbamate ChemComp-OYU: ~{tert}-butyl ~{N}-(2-hydroxyethyl)carbamate ChemComp-TXH: ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate ChemComp-TQ8: N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide / protease inhibitorYM ChemComp-PG5: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE ChemComp-VLF: 4-methyl-~{N}-[(2~{S})-4-oxidanyl-3-oxidanylidene-1-phenyl-butan-2-yl]benzenesulfonamide ChemComp-WRH: methyl (2S)-1-[(2S,3S)-3-methyl-2-[[(3S)-3-oxidanyl-4-oxidanylidene-4-(propylamino)butanoyl]amino]pentanoyl]pyrrolidine-2-carboxylate ChemComp-KH0: ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{S})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate ChemComp-D1R*: NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE
Source	homo sapiens (human) synthetic construct (others)
Keywords	HYDROLASE / cathepsin / cystein protease / drug development / drug target / peptide-like inhibitor / lysosome / protein degradation / SARS-CoV-2 / COVID-19 / spike protein maturation / virus cell entry / epoxide / proteinase inhibitor