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	Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites.
Journal, issue, pages	Rsc Med Chem, Year 2026
Publish date	Apr 15, 2026 (structure data deposition date)
Authors	Bhandari, D. / Kovalevskaya, K. / Coates, L. / Jonsson, C.B. / Parvathareddy, J. / Weiss, K.L. / Aniana, A. / Louis, J.M. / Bonnesen, P.V. / Kovalevsky, A.
External links	Rsc Med Chem / PubMed:42657162
Methods	X-ray diffraction / neutron diffraction
Resolution	1.8 - 2 Å
Structure data	PDB-12qh: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-1 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-12sv: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-2 Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-12ta: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-3 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-12wc: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KK-7 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-12xd: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-1 Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-12yf: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-2 Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-12zg: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-3 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-12zl: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-4 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-13bw: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-6 Method: X-RAY DIFFRACTION / Resolution: 1.8 Å PDB-13cl: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-0-1 Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-13fa: Room Temperature X-Ray Structure of SARS-CoV-2 Main Protease in Complex with noncovalent inhibitor KB-0-2 Method: X-RAY DIFFRACTION / Resolution: 2 Å PDB-13ho: Joint X-ray/neutron structure of deuterated SARS-CoV-2 main protease (MPro) in complex with noncovalent inhibitor KB-5 Method: X-RAY DIFFRACTION / NEUTRON DIFFRACTION / Resolution: 1.9 Å
Chemicals	PDB-1dcq: CRYSTAL STRUCTURE OF THE ARF-GAP DOMAIN AND ANKYRIN REPEATS OF PAPBETA. ChemComp-NA: Unknown entry ChemComp-HOH: WATER PDB-1dc0: CRYSTAL STRUCTURE OF AN A/B-DNA INTERMEDIATE CATGGGCCCATG PDB-1dc1: RESTRICTION ENZYME BSOBI/DNA COMPLEX STRUCTURE: ENCIRCLEMENT OF THE DNA AND HISTIDINE-CATALYZED HYDROLYSIS WITHIN A CANONICAL RESTRICTION ENZYME FOLD PDB-1dc3: STRUCTURAL ANALYSIS OF GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE FROM ESCHERICHIA COLI: DIRECT EVIDENCE FOR SUBSTRATE BINDING AND COFACTOR-INDUCED CONFORMATIONAL CHANGES PDB-1dek: DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE COMPLEXED WITH DEOXY-GMP PDB-1dex: RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.9 A RESOLUTION PDB-1dey: NMR SOLUTION STRUCTURE OF CO(II)-BLEOMYCIN A2 PDB-1de9: HUMAN APE1 ENDONUCLEASE WITH BOUND ABASIC DNA AND MN2+ ION PDB-1dfa: CRYSTAL STRUCTURE OF PI-SCEI IN C2 SPACE GROUP PDB Unreleased entry PDB-1dh2: Unknown entry ChemComp-DOD: DEUTERATED WATER
Source	severe acute respiratory syndrome coronavirus 2
Keywords	HYDROLASE/HYDROLASE INHIBITOR / Cysteine Protease / enzyme-inhibitor complex / HYDROLASE / HYDROLASE-HYDROLASE INHIBITOR complex