1gne

THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1

Method: X-RAY DIFFRACTION D_max: 67.8 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

GLUTATHIONE S-TRANSFERASE

synthetic construct

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 2–218	Not recorded	GSH Glutathione × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions	Resolution 2.50 Å

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 1GNE	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B8X GLUTATHIONE S-TRANSFERASE FUSED WITH THE NUCLEAR MATRIX TARGETING SIGNAL OF THE TRANSCRIPTION FACTOR AML-1 Deposited 1999-02-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–280（280 aa） Fragment：NMTS FRAGMENT	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.70 Å R-free 0.310
1B8X GLUTATHIONE S-TRANSFERASE FUSED WITH THE NUCLEAR MATRIX TARGETING SIGNAL OF THE TRANSCRIPTION FACTOR AML-1 Deposited 1999-02-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–280（280 aa） Fragment：NMTS FRAGMENT	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.70 Å R-free 0.310
1BG5 CRYSTAL STRUCTURE OF THE ANKYRIN BINDING DOMAIN OF ALPHA-NA,K-ATPASE AS A FUSION PROTEIN WITH GLUTATHIONE S-TRANSFERASE Deposited 1998-06-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Fragment：RESIDUES 1-218 FROM GLUTATHIONE S-TRANSFERASE, RESIDUES 219-254 FROM MINIMAL ALPHA-NA,K-ATPASE ANKYRIN BINDING DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.8；pH 8.8	Resolution 2.60 Å R-free 0.359
1DUG STRUCTURE OF THE FIBRINOGEN G CHAIN INTEGRIN BINDING AND FACTOR XIIIA CROSSLINKING SITES OBTAINED THROUGH CARRIER PROTEIN DRIVEN CRYSTALLIZATION Deposited 2000-01-17	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Chain B 2–218（217 aa）	Not recorded	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；277 K；PEG 3350, sodium acetate, sodium chloride, ammonium sulfate, Tris, reduced glutathione, pH 4.6, VAPOR DIFFUSION, HANGING DROP	Resolution 1.80 Å R-free 0.226
1GTA CRYSTAL STRUCTURES OF A SCHISTOSOMAL DRUG AND VACCINE TARGET: GLUTATHIONE S-TRANSFERASE FROM SCHISTOSOMA JAPONICA AND ITS COMPLEX WITH THE LEADING ANTISCHISTOSOMAL DRUG PRAZIQUANTEL Deposited 1994-12-01	Different construct Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.40 Å
1GTB CRYSTAL STRUCTURES OF A SCHISTOSOMAL DRUG AND VACCINE TARGET: GLUTATHIONE S-TRANSFERASE FROM SCHISTOSOMA JAPONICA AND ITS COMPLEX WITH THE LEADING ANTISCHISTOSOMAL DRUG PRAZIQUANTEL Deposited 1994-12-01	Different construct Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	PZQ PRAZIQUANTEL × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.60 Å
1M99 Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with glutathione sulfonic acid Deposited 2002-07-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	GTS GLUTATHIONE SULFONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；ammonium sulfate, ethanol, dithiothrietol, threalose, sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.30 Å R-free 0.261
1M9A Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with S-hexylglutathione Deposited 2002-07-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	GTX S-HEXYLGLUTATHIONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；ammonium sulfate,ethanol, dithiothrietol, threalose, sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.10 Å R-free 0.224
1M9B Crystal structure of the 26 kDa glutathione S-transferase from Schistosoma japonicum complexed with gamma-glutamyl[S-(2-iodobenzyl)cysteinyl]glycine Deposited 2002-07-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	IBG GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；ammonium sulfate, ethanol, dithiothrietol, threalose, sodium acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.60 Å R-free 0.275
1U87 Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With Glutathione Deposited 2004-08-05	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Mutation：Y7F	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；297 K；0.2M sodium citrate, 2M ammonium sulphate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 3.50 Å R-free 0.271
1U88 Crystal Structure Of The 26 Kda Glutathione S-Transferase Y7F mutant From Schistosoma Japonicum Complexed With S-Octyl Glutathione Deposited 2004-08-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Chain B 1–218（218 aa）	Mutation：Y7F Mutation：Y7F	GTY L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；297 K；0.2M sodium citrate, 2M ammonium sulphate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 297K	Resolution 3.50 Å R-free 0.317
1UA5 Non-fusion GST from S. japonicum in complex with glutathione Deposited 2003-02-28	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	SO4 SULFATE ION × 2 GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.50 Å R-free 0.221
1Y6E Orthorhombic glutathione S-transferase of Schistosoma japonicum Deposited 2004-12-06	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–217（217 aa） Chain B 1–217（217 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions Modified Microbatch；pH 5.5；294 K；25% (w/v) PEG 3350, 0.1M Bis-Tris pH 5.5, Modified Microbatch, temperature 294K X-ray crystallization conditions Modified Microbatch；pH 5.5；294 K；36% (w/v) PEG MME 5000, 0.1M sodium acetate pH 5.5, Modified Microbatch, temperature 294K	Resolution 3.00 Å R-free 0.279
3CRT Structural characterization of an engineered allosteric protein Deposited 2008-04-07	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa）	Mutation：L50C	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；20% PEG8000, 50mM tris, 5mM B-mercaptoethanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.90 Å R-free 0.257
3CRU Structural characterization of an engineered allosteric protein Deposited 2008-04-07	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa）	Mutation：L50C	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9.5；298 K；20% PEG8000, 50 mM Tris-HCL, 3 mM B-ME., pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.30 Å R-free 0.291
3D0Z Structural charcaterization of an engineered allosteric protein Deposited 2008-05-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa）	Mutation：L50H	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；20% PEG8000, 50mM TRIS, 5mM B-mercaptoethanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.50 Å R-free 0.311
3QMZ Crystal structure of the cytoplasmic dynein heavy chain motor domain Deposited 2011-02-07	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain T 2–218（217 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；277 K；16% PEG3350, 0.1 M sodium citrate, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.7	Resolution 6.00 Å R-free 0.430
3QMZ Crystal structure of the cytoplasmic dynein heavy chain motor domain Deposited 2011-02-07	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain S 2–218（217 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；277 K；16% PEG3350, 0.1 M sodium citrate, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.7	Resolution 6.00 Å R-free 0.430
4AI6 Dynein Motor Domain - ADP complex Deposited 2012-02-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092 Chain B 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 4 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 3.40 Å R-free 0.303
4AKG Dynein Motor Domain - ATP complex Deposited 2012-02-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092 Chain B 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 4	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 3.30 Å R-free 0.305
4AKH Dynein Motor Domain - AMPPNP complex Deposited 2012-02-22	Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 3.60 Å R-free 0.302
4AKH Dynein Motor Domain - AMPPNP complex Deposited 2012-02-22	Different construct Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 3.60 Å R-free 0.302
4AKI Dynein Motor Domain - LuAc derivative Deposited 2012-02-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092 Chain B 2–218（217 aa） Fragment：RESIDUES 1-218,1364-3038,3292-4092	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 SO4 SULFATE ION × 6 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 3.70 Å R-free 0.289
4ECB Chimeric GST Containing Inserts of Kininogen Peptides Deposited 2012-03-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–49（49 aa） Fragment：unp residues 1-49, kinonogen 498-507, 50-228 Chain A 50–218（169 aa） Fragment：unp residues 1-49, kinonogen 498-507, 50-228 Chain B 1–49（49 aa） Fragment：unp residues 1-49, kinonogen 498-507, 50-228 Chain B 50–218（169 aa） Fragment：unp residues 1-49, kinonogen 498-507, 50-228	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；100 mM HEPES, 200 mM KCl, 35% Pentaerythritol propoxylate, 0.1 M ATP solution, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.20 Å R-free 0.248
4ECC Chimeric GST Containing Inserts of Kininogen Peptides Deposited 2012-03-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–49（49 aa） Fragment：unp residues 1-49, kinonogen 498-510, 50-228 Chain A 50–215（166 aa） Fragment：unp residues 1-49, kinonogen 498-510, 50-228	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；(1)0.2 M Ammonium Sulfate, 0.1 M Hepes, 25% PEG 3350 (2)0.2 M Lithium Sulfate, 25% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.20 Å R-free 0.269
4WR4 Crystal Structure of GST Mutated with Halogenated Tyrosine (7bGST-1) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GSH Glutathione × 2 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M TRI-SODIUM CITRATE, 1.3M AMMONIUM SULFATE, 0.2M LITHIUM SULFATE	Resolution 1.60 Å R-free 0.222
4WR5 Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1) Deposited 2014-10-23	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	GSH Glutathione × 2 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；2.0M AMMONIUM SULFATE, 0.1M MES PH 7.0	Resolution 1.93 Å R-free 0.233
5GZZ Crystal Structure of FIN219-SjGST complex with JA Deposited 2016-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain B 1–218（218 aa） Chain C 1–218（218 aa）	Not recorded	JAA {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid × 1 GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；297 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris-HCl, 40%(w/v) PEG 4000	Resolution 2.39 Å R-free 0.234
5GZZ Crystal Structure of FIN219-SjGST complex with JA Deposited 2016-10-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain D 1–218（218 aa） Chain E 1–218（218 aa）	Not recorded	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；297 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris-HCl, 40%(w/v) PEG 4000	Resolution 2.39 Å R-free 0.234
5GZZ Crystal Structure of FIN219-SjGST complex with JA Deposited 2016-10-02	Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain F 1–218（218 aa） Chain G 1–218（218 aa）	Not recorded	GSH Glutathione × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；297 K；0.2 M Magnesium chloride hexahydrate, 0.1 M Tris-HCl, 40%(w/v) PEG 4000	Resolution 2.39 Å R-free 0.234
6JI6 Crystal structure of glutathione S-transferase complexed and modified with glutathione Deposited 2019-02-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	GSH Glutathione × 8 ACT ACETATE ION × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M Bis-Tris, 0.4M Ammonium acetate, 26% w/v PEG 3350	Resolution 1.50 Å R-free 0.224
6N8U DRAFT model of Schistosoma japonicum Glutathione S-transferase expression tag Deposited 2018-11-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Chain B 1–218（218 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG3350, 0.1M sodium acetate	Resolution 1.96 Å R-free 0.256
6RWD Crystal structure of SjGST in complex with GSH and ellagic acid at 1.53 Angstrom resolution Deposited 2019-06-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Chain B 1–218（218 aa）	Not recorded	GSH Glutathione × 2 NA SODIUM ION × 2 CL CHLORIDE ION × 2 REF 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；8.5 mg/ml SjGST in 10 mM Tris HCl, pH 7.0 was crystallised in 0.2M sodium chloride, 0.1 M BIS-TRIS, pH 5.5, 25% (w/v) PEG 3350.	Resolution 1.53 Å R-free 0.216
7AL7 The Crystal Structure of Human IL-18 in Complex With Human IL-18 Binding Protein Deposited 2020-10-05	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 2–218（217 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；293 K；0.2 M Calcium acetate hydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 18% w/v Polyethylene glycol 8000	Resolution 1.80 Å R-free 0.232
7ESG Crystal structure of Haloarcula marismortui CheB with Glutathione S-transferase expression tag Deposited 2021-05-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；289.15 K；20% PEG 3350, 200 mM Potassium citrate tribasic monohydrate, pH 8.3	Resolution 2.53 Å R-free 0.372
7NT8 Influenza virus H3N2 nucleoprotein - R416A mutant Deposited 2021-03-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02 M of each alcohol (1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1,2- propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol), 0.1 M MES/imidazole pH 6.5.	Resolution 2.22 Å R-free 0.265
7NT8 Influenza virus H3N2 nucleoprotein - R416A mutant Deposited 2021-03-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–218（218 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；10% w/v PEG 8000, 20% v/v ethylene glycol, 0.02 M of each alcohol (1,6-hexanediol, 0.2 M 1-butanol, 0.2 M (RS)-1,2- propanediol, 0.2 M 2-propanol, 0.2 M 1,4-butanediol, 0.2 M 1,3-propanediol), 0.1 M MES/imidazole pH 6.5.	Resolution 2.22 Å R-free 0.265
7XQK The Crystal Structure of CDK3 and CyclinE1 Complex from Biortus. Deposited 2022-05-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	SO4 SULFATE ION × 11 GOL GLYCEROL × 3 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M MgSO4, 0.1M MES pH6.5	Resolution 2.25 Å R-free 0.202
8DHB Active FLCN GAP complex Deposited 2022-06-25	Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 10 PDB declaration: decameric	Chain H 2–218（217 aa）	Not recorded	CZC [(2~{R},3~{S},4~{R},5~{R})-5-[2,6-bis(oxidanylidene)-3~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1 GDP GUANOSINE-5'-DIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.53 Å
8GYD Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 Deposited 2022-09-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Chain B 1–218（218 aa）	Not recorded	0IH (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid × 3 EOH ETHANOL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；49% Saturated ammonium sulfate, 0.3 M Sodium acetate, pH 5.6, 2% ethanol, 10 mM DTT	Resolution 1.70 Å R-free 0.215
8H4R The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus Deposited 2022-10-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	1QK 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium × 1 SO4 SULFATE ION × 6 GOL GLYCEROL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.6M MgSO4, 0.1M MES pH 6.60	Resolution 2.75 Å R-free 0.223
8JHU Legionella effector protein SidI Deposited 2023-05-25	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.10 Å
8OK1 WD repeat containing protein 5 (WDR5)- N225A mutant Deposited 2023-03-26	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M HEPES pH 7.5, 50 mM ammonium sulfate, 24% PEG3350	Resolution 1.38 Å R-free 0.218
8OKF WD repeat containing protein 5 (WDR5)- PER2 peptide Deposited 2023-03-28	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	144 TRIS-HYDROXYMETHYL-METHYL-AMMONIUM × 2 CL CHLORIDE ION × 2 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；292 K；0.1 M Tris pH 8.0, 50 mM sodium chloride, 13% PEG8000	Resolution 1.85 Å R-free 0.201
8RDY Saccharomyces cerevisiae Prp43 helicase in complex with Pxr1 Deposited 2023-12-08	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–218（218 aa）	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.33 Å
8SEN Cryo-EM Structure of RyR1 Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	ZN ZINC ION × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.49 Å
8SEO Cryo-EM Structure of RyR1 + ATP-gamma-S Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 4 ZN ZINC ION × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.92 Å
8SEP Cryo-EM Structure of RyR1 + ADP Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 4 ZN ZINC ION × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.57 Å
8SEQ Cryo-EM Structure of RyR1 + AMP Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	AMP ADENOSINE MONOPHOSPHATE × 4 ZN ZINC ION × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
8SER Cryo-EM Structure of RyR1 + Adenosine Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	ADN ADENOSINE × 4 ZN ZINC ION × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.42 Å
8SES Cryo-EM Structure of RyR1 + Adenine Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	ZN ZINC ION × 4 ADE ADENINE × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.98 Å
8SET Cryo-EM Structure of RyR1 + cAMP Deposited 2023-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric	Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	CMP ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE × 4 ZN ZINC ION × 4	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.42 Å
9AXA CryoEM structure of activated CRAF/MEK/14-3-3 complex with NST-628 Deposited 2024-03-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 1–218（218 aa） Chain C 1–218（218 aa）	Mutation：Y340D Y341D Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：Y340D Y341D Non-standard monomer：Yes (specific site not provided by mmCIF)	A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.36 Å
9AXC Activated CRAF/MEK heterotetramer from focused refinement of CRAF/MEK/14-3-3 complex Deposited 2024-03-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–218（218 aa） Chain C 1–218（218 aa）	Mutation：Y340D Y341D Mutation：Y340D Y341D	A1AHE N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.16 Å
9F1B Mammalian ternary complex of a translating 80S ribosome, NAC and NatA/E Deposited 2024-04-18	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 83 PDB declaration: 89-meric	Chain DA 1–218（218 aa）	Not recorded	MG MAGNESIUM ION × 420 ZN ZINC ION × 8 UNX UNKNOWN LIGAND × 306 IHP INOSITOL HEXAKISPHOSPHATE × 1 SPD SPERMIDINE × 30 SPM SPERMINE × 3 GTP GUANOSINE-5'-TRIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.01 Å
9F1C Mammalian quaternary complex of a translating 80S ribosome, NAC, MetAP1 and NatA/E Deposited 2024-04-18	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 84 PDB declaration: 90-meric	Chain DA 1–218（218 aa）	Not recorded	UNX UNKNOWN LIGAND × 277 MG MAGNESIUM ION × 420 GTP GUANOSINE-5'-TRIPHOSPHATE × 1 SPD SPERMIDINE × 30 SPM SPERMINE × 3 ZN ZINC ION × 8 IHP INOSITOL HEXAKISPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE-PROPANE	Resolution 3.78 Å
9JPR Local refinement of H11 nanotubes assembled from baculovirus capsid protein Deposited 2024-09-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–218（218 aa） Chain B 1–218（218 aa） Chain C 1–218（218 aa） Chain D 1–218（218 aa） Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.80 Å
9JPS Local refinement of H12 nanotubes assembled from baculovirus capsid protein Deposited 2024-09-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–218（218 aa） Chain B 1–218（218 aa） Chain C 1–218（218 aa） Chain D 1–218（218 aa） Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.30 Å
9K2O Local refinement of A7 nanotubes assembled from baculovirus capsid protein Deposited 2024-10-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–218（218 aa） Chain B 1–218（218 aa） Chain C 1–218（218 aa） Chain D 1–218（218 aa） Chain E 1–218（218 aa） Chain F 1–218（218 aa） Chain G 1–218（218 aa） Chain H 1–218（218 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
9N48 Crystal structure of PAK1 bound to compound C1 Deposited 2025-02-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Chain B 2–218（217 aa）	Not recorded	A1BV1 (6M)-8-[2-(2-aminoethoxy)ethyl]-6-[2-chloro-3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(ethylamino)pyrido[2,3-d]pyrimidin-7(8H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；0.2 M Lithium Sulfate, 0.1 M Tris pH8.5, 30% PEG4000	Resolution 1.85 Å R-free 0.216
9N4U Crystal structure of PAK1 bound to compound R1 Deposited 2025-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Chain B 2–218（217 aa）	Not recorded	A1BV8 (3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M Lithium Sulfate, 0.1M Tris pH 8.5, 30% PEG4000	Resolution 1.77 Å R-free 0.203
9NBX Crystal structure of PAK1 bound to C2 Deposited 2025-02-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–218（217 aa） Chain B 2–218（217 aa）	Not recorded	A1BW5 (6M)-8-(3-aminopropyl)-6-(4-butoxy-2-methylphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；0.2M Lithium Sulfate, 0.1M Tris pH8.5, 30% PEG 4000	Resolution 2.15 Å R-free 0.265
9NMC SARS-CoV-2 3CLPro in complex with 3-(6-bromo-2-hydroxy-3-(isoquinolin-4-yl)-4-oxoquinolin-1(4H)-yl)propanenitrile Deposited 2025-03-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	A1BY2 (3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)quinolin-4(1H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M NaCl, 0.1 M HEPES pH 7.5, 25% PEG 3350	Resolution 2.20 Å R-free 0.285
9NMD SARS-CoV-2 3CLPro in complex with 3-(6-bromo-2-hydroxy-3-(isoquinolin-4-yl)-4-oxoquinolin-1(4H)-yl)propanenitrile Deposited 2025-03-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	A1BY1 3-[(3P)-6-bromo-2-hydroxy-3-(isoquinolin-4-yl)-4-oxoquinolin-1(4H)-yl]propanenitrile × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；0.2 M sodium chloride, 0.1 M Bis-TRIS pH 5.5-7.5, 25 % PEG 33500	Resolution 2.40 Å R-free 0.268
9NME SARS-CoV-2 3CLPro in complex with 2-[2-hydroxy-3-(4-isoquinolyl)-4-oxo-6-(trifluoromethyl)-1H-quinolin-8-yl]benzonitrile Deposited 2025-03-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	A1BY3 (2M)-2-[(3P)-2-hydroxy-3-(isoquinolin-4-yl)-4-oxo-6-(trifluoromethyl)-1,4-dihydroquinolin-8-yl]benzonitrile × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M ammonium sulfate, 0.1 M HEPES pH 7.5, 25% PEG 3350	Resolution 1.60 Å R-free 0.228
9NMF SARS-CoV-2 3CLPro in complex with 8-(6-amino-3-pyridyl)-2-hydroxy-3-(4-isoquinolyl)-6-(trifluoromethyl)-1H-quinolin-4-one Deposited 2025-03-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Chain B 1–218（218 aa）	Not recorded	A1BY4 (3P,8M)-8-(6-aminopyridin-3-yl)-2-hydroxy-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；0.2 M Lithium Sulfate monohydrate, 0.1M BIS-TRIS pH 5.5-7.5, 25% PEG 3350	Resolution 1.80 Å R-free 0.225
9NMG SARS-CoV-2 3CLPro in complex with 8-(2,5-dihydro-1H-pyrrol-3-yl)-2-hydroxy-3-(4-isoquinolyl)-6-(trifluoromethyl)-1H-quinolin-4-one Deposited 2025-03-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa） Chain B 1–218（218 aa）	Not recorded	A1BY5 (3P,8P)-8-(2,5-dihydro-1H-pyrrol-3-yl)-2-hydroxy-3-(isoquinolin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M lithium sulfate, 0.1 M BIS-TRIS pH 6.5-7.5, 25 % PEG 3350	Resolution 2.00 Å R-free 0.245
9NMH SARS-CoV-2 3CLPro in complex with 2-hydroxy-3-(4-isoquinolyl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)-1H-quinolin-4-one Deposited 2025-03-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–218（218 aa）	Not recorded	A1BY6 (3P,8P)-2-hydroxy-3-(isoquinolin-4-yl)-8-(1,2,3,6-tetrahydropyridin-4-yl)-6-(trifluoromethyl)quinolin-4(1H)-one × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.1 M NaCl, 0.1 M BIS-TRIS pH 5.5-7.5, 25% PEG 3350	Resolution 2.50 Å R-free 0.274
9RPD D. melanogaster Augmin TII N-clamp (GST-fusion) bound to a microtubule, well-defined subset of particles Deposited 2025-06-24	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 9 PDB declaration: nonameric	Chain K 1–218（218 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 6.8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.90 Å
9YW2 Complex structure of human p97 bound to Faf1 and Ufd1 (NTD focused) Deposited 2025-10-23	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain H 1–218（218 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.6 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.27 Å

64 other PDB entries and 70 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	GST26_SCHJA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–217； UniProt 2–218

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1gne
Deposition date deposition_date	1994-06-16
Structure title title	THE THREE-DIMENSIONAL STRUCTURE OF GLUTATHIONE S-TRANSFERASE OF SCHISTOSOMA JAPONICUM FUSED WITH A CONSERVED NEUTRALIZING EPITOPE ON GP41 OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
Keywords keywords	GLUTATHIONE TRANSFERASE, TRANSFERASE; TRANSFERASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	19.91 Å
Radius of gyration Rg (electron density) rg_electron	18.62 Å
Forward intensity I(0) i0	12427200.00
Molecular weight molecular_weight	27357.0 kDa
Excluded volume excluded_volume	34668 Å³
Envelope volume envelope_volume	40732 Å³
Hydration-shell volume shell_volume	18508 Å³
Envelope diameter envelope_diameter	71.8 Å
Shell Rg shell_rg	24.91 Å
Envelope Rg envelope_rg	19.11 Å
Shape Rg shape_rg	18.58 Å
Total Rg total_rg	19.71 Å
Total atoms total_atoms	1925
Residues n_residues	232
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	67.8 Å
Rg (real space) rg_real	19.86 Å
Rg uncertainty (real space) rg_real_error	0.51 Å
I(0) (real space) i0_real	1.2430e+07
I(0) uncertainty (real space) i0_real_error	1.7150e+05
Rg (reciprocal space) rg_reciprocal	19.87 Å
I(0) (reciprocal space) i0_reciprocal	12430000.0000
Solution quality estimate total_estimate	0.7813
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	25.8 Å
Skewness Skewness skewness	0.327
Kurtosis Kurtosis kurtosis	-0.106
Angular range angular_range	— – 0.4000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3126000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.724; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	GLUTATHIONE S-TRANSFERASE
Molecular weight formula_weight	27091.4 kDa
EC 编号 ec_number	2.5.1.18
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2051

SPILGYWKIKGLVQPTRLLLEYLEEKYEEHLYERDEGDKWRNKKFELGLEFPNLPYYIDGDVKLTQSMAIIRYIADKHNMLGGCPKERAEISMLEGAVLDIRYGVSRIAYSKDFETLKVDFLSKLPEMLKMFEDRLCHKTYLNGDHVTHPDFMLYDALDVVLYMDPMCLDAFPKLVCFKKRIEAIPQIDKYLKSSKYIAWPLQGWQATFGGGDHPPKSDLVPRGSMELDKWA

来源 Source

来源生物 organism	synthetic construct
NCBI Class编号 ncbi_taxonomy_id	32630

Entity 2 Entity 2 non-polymer

Description description	GLUTATHIONE
Molecular weight formula_weight	307.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	126

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1gnea1
Class class	a — All alpha proteins
Fold Fold fold	a.45 — GST C-terminal domain-like
Superfamily Superfamily superfamily	a.45.1 — GST C-terminal domain-like
Family Family family	a.45.1.1 — Glutathione S-transferase (GST), C-terminal domain

Domain ID domain_id	d1gnea2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.5 — Glutathione S-transferase (GST), N-terminal domain

CATH v4.4 (2 domains)

Domain ID domain_id	1gneA01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	1gneA02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2
Homologous superfamily homologous superfamily	10 —

▶

8. Citations (12)

;Three-dimensional structure of Schistosoma japonicum glutathione S-transferase fused with a six-amino acid conserved neutralizing epitope of gp41 from HIV. ;

Protein Sci. (1994)

PMID: 7538846 PRIMARY

Fusion Proteins as Alternate Crystallization Paths to Difficult Structure Problems

PROTEIN PEPT.LETT. (1994)

;Molecular Structure at 1.8 Angstroms of Mouse Liver Class Pi Glutathione S-Transferase Complexed with S-(P-Nitrobenzyl)Glutathione and Other Inhibitors ;

J.Mol.Biol. (1994)

Glutathione Proteins

Curr.Opin.Struct.Biol. (1993)

A Conserved Neutralizing Epitope on Gp41 of Human Immunodeficiency Virus Type 1

J.Virol. (1993)

;Structure Determination and Refinement of Human Alpha Class Glutathione Transferase A1-1, and a Comparison with the Mu and Pi Class Enzymes ;

J.Mol.Biol. (1993)

;The Three-Dimensional Structure of a Glutathione S-Transferase from the Mu Gene Class. Structural Analysis of the Binary Complex of Isoenzyme 3-3 and Glutathione at 2.2 Angstroms Resolution ;

Biochemistry (1992)

;Three-Dimensional Structure of Class P Glutathione S-Transferase from Human Placenta in Complex with S-Hexylglutathione at 2.8 Angstroms Resolution ;

J.Mol.Biol. (1992)

;The Three-Dimensional Structure of Class P Glutathione S-Transferase in Complex with Glutathione Sulfonate at 2.3 Angstroms Resolution ;

Embo J. (1991)

Single-Step Purification of Polypeptides Expressed in Escherichia Coli as Fusions with Glutathione S-Transferase

Gene (1988)

Correction

Proc.Natl.Acad.Sci.USA (1987)

Mr 26,000 Antigen of Schistosoma Japonicum Recognized by Resistant Wehi 129(Slash)J Mice is a Parasite Glutathione S-Transferase

Proc.Natl.Acad.Sci.USA (1986)

▶

Unit-cell length a length_a	94.740 Å
Unit-cell length b length_b	94.740 Å
Unit-cell length c length_c	58.130 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	6.000 Å
R factor r_factor	0.2190
R_work r_work	0.2190
R_free r_free	—

fit	/app/data/saxs_computation/gn/1gne/1gne.fit
pddf	/app/data/pr_computation/gn/1gne/1gne.pr.out
profile	/app/data/saxs_computation/gn/1gne/1gne.dat