data_50262 save_entry_interview_1 _Entry_interview.Sf_category entry_interview _Entry_interview.Sf_framecode entry_interview_1 _Entry_interview.Entry_ID 50262 _Entry_interview.ID 1 _Entry_interview.PDB_deposition no _Entry_interview.BMRB_deposition yes _Entry_interview.View_mode "BMRB Only" _Entry_interview.Use_previous_BMRB_entry no _Entry_interview.Previous_BMRB_entry_owner no _Entry_interview.Structural_genomics no _Entry_interview.Ligands no _Entry_interview.Non_standard_residues no _Entry_interview.Small_mol_mixture no _Entry_interview.Constraints no _Entry_interview.Assigned_chem_shifts no _Entry_interview.Coupling_constants no _Entry_interview.Chem_shift_isotope_effect no _Entry_interview.Chem_shift_perturbation no _Entry_interview.Auto_relaxation no _Entry_interview.Tensor no _Entry_interview.Interatomic_distance no _Entry_interview.Chem_shift_anisotropy no _Entry_interview.Heteronucl_NOEs no _Entry_interview.Heteronucl_T1_relaxation no _Entry_interview.Heteronucl_T2_relaxation no _Entry_interview.Heteronucl_T1rho_relaxation no _Entry_interview.Order_parameters no _Entry_interview.Dynamics_trajectory no _Entry_interview.Movie no _Entry_interview.Image_file no _Entry_interview.Residual_dipolar_couplings no _Entry_interview.H_exchange_rate no _Entry_interview.H_exchange_protection_factors no _Entry_interview.Chem_rate_constants no _Entry_interview.Spectral_peak_lists no _Entry_interview.Dipole_dipole_couplings no _Entry_interview.Quadrupolar_couplings no _Entry_interview.Homonucl_NOEs no _Entry_interview.Dipole_dipole_relaxation no _Entry_interview.DD_cross_correlation no _Entry_interview.Dipole_CSA_cross_correlation no _Entry_interview.Binding_constants no _Entry_interview.PKa_value_data_set no _Entry_interview.D_H_fractionation_factors no _Entry_interview.Theoretical_chem_shifts no _Entry_interview.Theoretical_coupling_constants no _Entry_interview.Theoretical_heteronucl_NOEs no _Entry_interview.Theoretical_T1_relaxation no _Entry_interview.Theoretical_T2_relaxation no _Entry_interview.Theoretical_auto_relaxation no _Entry_interview.Theoretical_DD_cross_correlation no _Entry_interview.Spectral_density_values no _Entry_interview.Timedomain_data yes _Entry_interview.Secondary_structure_orientations no _Entry_interview.Metabolite_coordinates no _Entry_interview.Mass_spec_data no _Entry_interview.Other_kind_of_data yes save_ save_deposited_data_files_1 _Deposited_data_files.Sf_category deposited_data_files _Deposited_data_files.Sf_framecode deposited_data_files_1 _Deposited_data_files.Entry_ID 50262 _Deposited_data_files.ID 1 loop_ _Upload_data.Data_file_ID _Upload_data.Data_file_name _Upload_data.Data_file_content_type _Upload_data.Data_file_Sf_category _Upload_data.Data_file_syntax _Upload_data.Data_file_immutable_flag _Upload_data.Entry_ID _Upload_data.Deposited_data_files_ID 1 SARS-CoV-2_BMRB_DATA_-_Vederas_Group.zip "Time-domain data (raw spectral data)" * . . 50262 1 2 SARS-CoV-2_BMRB_DATA_-_Vederas_Group.zip "Other kinds of data" other_data_types . . 50262 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50262 _Entry.Title "Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication" _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-05-06 _Entry.Accession_date 2020-05-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.10.3 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Dep_release_code_coordinates ? _Entry.Dep_release_code_chemical_shifts ? _Entry.Dep_release_code_nmr_exptl ? _Entry.Dep_release_code_sequence ? _Entry.Details ; Time domain data for experiments along with spectrometer parameters. Chemical shift assignments found in journal article of the same same name: Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication. ; _Entry.Release_request "Release now" _Entry.BMRB_internal_directory_name . _Entry.RCSB_annotator ? loop_ _Contact_person.ID _Contact_person.Email_address _Contact_person.Name_salutation _Contact_person.Given_name _Contact_person.Family_name _Contact_person.Department_and_institution _Contact_person.Country _Contact_person.State_province _Contact_person.City _Contact_person.Postal_code _Contact_person.Address_1 _Contact_person.Phone_number _Contact_person.Role _Contact_person.Organization_type _Contact_person.Entry_ID 1 wv1@ualberta.ca Mr. Wayne Vuong "University of Alberta" Canada Alberta Edmonton "T6G 2W2" . . "responsible scientist" academic 50262 2 ryan.mckay@ualberta.ca Dr. Ryan McKay "University of Alberta" Canada Alberta Edmonton "T6G 2W2" . . "responsible scientist" academic 50262 3 john.vederas@ualberta.ca Dr. John Vederas "University of Alberta" Canada Alberta Edmonton "T6G 2W2" . . "principal investigator" academic 50262 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Wayne Vuong . . . 0000-0002-3439-8788 50262 2 Ryan McKay . . . 0000-0002-0255-159X 50262 3 John Vederas . . . 0000-0002-2996-0326 50262 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "Vederas Group, University of Alberta" . 50262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID ? ? 50262 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50262 _Citation.ID 1 _Citation.Name . _Citation.Class "entry citation" _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Feline coronavirus drug inhibits the main protease of SARS-CoV-2 and blocks virus replication ; _Citation.Status "in preparation" _Citation.Type journal _Citation.Journal_abbrev BioRxiv _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Wayne Vuong . . . . 50262 1 2 "M. Bashir" Khan . . . . 50262 1 3 Conrad Fischer . . . . 50262 1 4 Elena Arutyunova . . . . 50262 1 5 Tess Lamer . . . . 50262 1 6 Justin Shields . . . . 50262 1 7 Holly Saffran . A. . . 50262 1 8 Ryan McKay . T. . . 50262 1 9 Marco "van Belkum" . J. . . 50262 1 10 Michael Joyce . . . . 50262 1 11 Howard Young . S. . . 50262 1 12 "D. Lorne" Tyrrell . . . . 50262 1 13 John Vederas . C. . . 50262 1 14 "M. Joanne" Lemieux . . . . 50262 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID "COVID-19, SARS-CoV-2, Mpro, 3CLpro, coronavirus, main protease, SARS" 50262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50262 _Assembly.ID 1 _Assembly.Name "Protease-Inhibitor Complex" _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange yes _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details ; Protease-Inhibitor Complex; The inhibitor GC373 has formula: C21H29N3O5, MS: 403.48. There is a single covalent between: Inhibitor (GC373) and residue 145 Cys (atom SG). ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 "Inhibitor (GC373)" 1 $entity_1 . . yes native yes yes . Inhibitor "Both free and bound inhibitor present. Free inhibitor is in 2 distinct conformations." 50262 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID "Inhibition of SARS-CoV-2 polyprotein (pp1a, pp1ab) processing" 50262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50262 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality yes _Entity.Nstd_linkage yes _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state "all other bound" _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; NMR data contains precursors/intermediates in the synthesis of this compound. Enzyme binding experiments performed using a C13-labelled version of GC373 with label at aldehyde carbon. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID "Inhibitor of SARS-CoV-2 main protease (Mpro)" 50262 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50262 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . . "no natural source" . . . . . . . . . . . . . . . . . . . . . . . . . . . "Protease inhibitor synthesized by chemical means." . . 50262 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50262 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . "chemical synthesis" . . . . . . . . . . . . . . . . . . . . . . . . . . "Protease inhibitor synthesized by chemical means." . . 50262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50262 _Sample.ID 1 _Sample.Name "Enzyme-Inhibitor Assay" _Sample.Type solution _Sample.Sub_type . _Sample.Details "See cited reference experimental section for details." _Sample.Aggregate_sample_number 1 _Sample.Solvent_system "100% D2O" _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GC373 "[U-100% 13C]" . . 1 $entity_1 . . 0.0995 . . uM . . . . 50262 1 2 "SARS-CoV-2 Mpro" "natural abundance" . . . . . . 2.6 . . mg/mL . . . . 50262 1 3 DTT "natural abundance" . . . . . . 20 . . mM . . . . 50262 1 4 "potassium phosphate" "natural abundance" . . . . . . 50 . . mM . . . . 50262 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50262 _Sample_condition_list.ID 1 _Sample_condition_list.Name "Enzyme-Inhibitor Binding Assay" _Sample_condition_list.Details "Conditions of Enzyme-Inhibitor Binding Assay. See cited reference experimental section for details." loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 300 . K 50262 1 pH 7.5 . pH 50262 1 pressure 1 . atm 50262 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50262 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version "4.2A, patch 110" _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . "collection, data analysis" 50262 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name "700 VNMRS" _NMR_spectrometer.Details "4-channel, inverse cold probe" _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50262 _Experiment_list.ID 1 _Experiment_list.Details "See cited reference experimental section for details." loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 "2D 1H-13C HSQC" yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50262 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 "2D 1H-13C HSQC" SARS-CoV-2_BMRB_DATA_-_Vederas_Group.zip . "Time-domain (raw spectral data)" . "All time domain data of both 2D Protease-Inhibitor binding assay and intermediates in chemical synthesis provided. Spectrometer parameters also provided." 50262 1 stop_ save_ save_computing_platform_1 _Computing_platform.Sf_category computing_platform _Computing_platform.Sf_framecode computing_platform_1 _Computing_platform.Entry_ID 50262 _Computing_platform.ID 1 _Computing_platform.Name VNMRj _Computing_platform.Reference_ID . _Computing_platform.Site "University of Alberta" _Computing_platform.Site_reference_ID . _Computing_platform.Details "In-house system (console) used." save_ ######################### # Other kinds of data # ######################### save_other_data_types_1 _Other_data_type_list.Sf_category other_data_types _Other_data_type_list.Sf_framecode other_data_types_1 _Other_data_type_list.Entry_ID 50262 _Other_data_type_list.ID 1 _Other_data_type_list.Name "SARS-CoV-2 Inhibitor Synthesis and Protease-Inhibitor Binding Assay Data" _Other_data_type_list.Definition . _Other_data_type_list.Data_file_name SARS-CoV-2_BMRB_DATA_-_Vederas_Group.zip _Other_data_type_list.Sample_condition_list_ID 1 _Other_data_type_list.Sample_condition_list_label $sample_conditions_1 _Other_data_type_list.Details "Contains NMR data of inhibitor preparation as well as protease-inhibitor binding studies." _Other_data_type_list.Text_data_format . _Other_data_type_list.Text_data . loop_ _Other_data_experiment.Experiment_ID _Other_data_experiment.Experiment_name _Other_data_experiment.Sample_ID _Other_data_experiment.Sample_label _Other_data_experiment.Sample_state _Other_data_experiment.Entry_ID _Other_data_experiment.Other_data_type_list_ID 1 "2D 1H-13C HSQC" . . . 50262 1 stop_ loop_ _Other_data_software.Software_ID _Other_data_software.Software_label _Other_data_software.Method_ID _Other_data_software.Method_label _Other_data_software.Entry_ID _Other_data_software.Other_data_type_list_ID 1 $software_1 . . 50262 1 stop_ save_