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	Structure-guided design of broad-spectrum inhibitors of coronaviral proteases embodying a 1,3,2-oxazaphospholidin-3-one scaffold as a versatile design element.
Journal, issue, pages	Eur. J. Med. Chem., Vol. 316, Page 119002-119002, Year 2026
Publish date	Dec 4, 2025 (structure data deposition date)
Authors	Nguyen, H.N. / Ranasinghe, P.S. / Ilesinghe, I.K.R.S. / Dampalla, C.S. / Rathnayake, A.D. / Liska, Z. / Jesri, A.M. / Azmi, Z. / Nevonen, D.E. / Kim, Y. ...Nguyen, H.N. / Ranasinghe, P.S. / Ilesinghe, I.K.R.S. / Dampalla, C.S. / Rathnayake, A.D. / Liska, Z. / Jesri, A.M. / Azmi, Z. / Nevonen, D.E. / Kim, Y. / Ung, A.R. / Taylor, K.E. / Cooper, A. / Liu, L. / Battaile, K.P. / Thurman, H.A. / Gusachenko, E. / Lovell, S. / Groutas, W.C. / Chang, K.O.
External links	Eur. J. Med. Chem. / PubMed:42208369
Methods	X-ray diffraction
Resolution	1.5 - 2.44 Å
Structure data	PDB-9zj1: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor NN-IV-169 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9zj2: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor AMJ-II-122 Method: X-RAY DIFFRACTION / Resolution: 1.5 Å PDB-9zj3: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor AMJ-II-72 Method: X-RAY DIFFRACTION / Resolution: 2.1 Å PDB-9zj4: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor IKR-I-45 Method: X-RAY DIFFRACTION / Resolution: 2.44 Å PDB-9zj5: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor IKR-I-52 Method: X-RAY DIFFRACTION / Resolution: 1.76 Å PDB-9zj6: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor PSR-I-162 Method: X-RAY DIFFRACTION / Resolution: 1.52 Å PDB-9zj8: Crystal structure of MERS 3CL protease in complex with inhibitor AMJ-II-72 Method: X-RAY DIFFRACTION / Resolution: 2.1 Å PDB-9zjb: Crystal structure of MERS 3CL protease in complex with inhibitor IKR-I-46 Method: X-RAY DIFFRACTION / Resolution: 1.88 Å PDB-9zjc: Crystal structure of MERS 3CL protease in complex with inhibitor IKR-I-52 Method: X-RAY DIFFRACTION / Resolution: 1.9 Å PDB-9zzh: Crystal structure of SARS-CoV-2 3CL protease in complex with inhibitor CSD-V-169 Method: X-RAY DIFFRACTION / Resolution: 1.87 Å
Chemicals	PDB-1c2q: SOLUTION STRUCTURE OF A DNA.RNA HYBRID CONTAINING AN ALPHAT-ANOMERIC THYMIDINE AND POLARITY REVERSALS ChemComp-BR: BROMIDE ION ChemComp-HOH: WATER PDB-1c2r: MOLECULAR STRUCTURE OF CYTOCHROME C2 ISOLATED FROM RHODOBACTER CAPSULATUS DETERMINED AT 2.5 ANGSTROMS RESOLUTION ChemComp-PG4: TETRAETHYLENE GLYCOL / precipitantYM PDB-1c2n: CYTOCHROME C2, NMR, 20 STRUCTURES ChemComp-CL: Unknown entry PDB-1c2t: NEW INSIGHTS INTO INHIBITOR DESIGN FROM THE CRYSTAL STRUCTURE AND NMR STUDIES OF E. COLI GAR TRANSFORMYLASE IN COMPLEX WITH BETA-GAR AND 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID. PDB-1c2w: 23S RRNA STRUCTURE FITTED TO A CRYO-ELECTRON MICROSCOPIC MAP AT 7.5 ANGSTROMS RESOLUTION ChemComp-NA: Unknown entry PDB Unreleased entry PDB-1c2s: SELENOMETHIONYL GLUTAMINE PRPP AMIDOTRANSFERASE MEASURED BY MAD ChemComp-GOL: GLYCEROL ChemComp-CA: Unknown entry PDB-1c2k: RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES PDB-1c4h: Unknown entry ChemComp-PEG*: DI(HYDROXYETHYL)ETHER
Source	severe acute respiratory syndrome coronavirus 2 middle east respiratory syndrome-related coronavirus
Keywords	HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex / PROTEASE / SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS 2 / SARS-COV-2 3CL PROTEASE INHHIBITORS / COVID-19 / VIRAL PROTEIN