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Protein Structures and Oligomeric States

Enter a protein name, UniProt accession or PDB ID. Name searches ask you to confirm the protein identity before related structures are queried.

Current Protein Identity：P29466 New Search
42PDB entries
47Biological assembly
114chain/assembly records
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
1BMQ CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE Deposited 1998-07-24 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 131–297（167 aa）
Chain B 317–404（88 aa）
Not recorded MNO (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；PROTEIN WAS CRYSTALLIZED FROM 10-15% PEG 6000, 100MM HEPES PH 7.0
Resolution 2.50 Å R-free 0.317
1BMQ CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE Deposited 1998-07-24 Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 131–297（167 aa）
Chain B 317–404（88 aa）
Not recorded MNO (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7；PROTEIN WAS CRYSTALLIZED FROM 10-15% PEG 6000, 100MM HEPES PH 7.0
Resolution 2.50 Å R-free 0.317
1IBC CRYSTAL STRUCTURE OF INHIBITED INTERLEUKIN-1BETA CONVERTING ENZYME Deposited 1997-02-12 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 104–297（194 aa）
Chain B 317–404（88 aa）
Mutation：D381A Mutation：D381A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；1.5 ML DROPS OF PROTEIN-INHIBITOR SOLUTION (5.0 MG/ML IN 10 MILLIMOLAR TRIS-HCL, PH 8.5, 10 MILLI-MOLAR DTT, 3 MILLIMOLAR SODIUM AZIDE) WERE MIXED WITH AN EQUAL VOLUME OF RESERVOIR BUFFER (7.2% PEG-6000 (W:W), 0.10 M PIPES PH 5.8, 10 MILLIMOLAR DTT, 3 MILLIMOLAR SODIUM AZIDE) AND INCUBATED AT ROOM TEMPERATURE.
Resolution 2.73 Å R-free 0.285
1ICE STRUCTURE AND MECHANISM OF INTERLEUKIN-1BETA CONVERTING ENZYME Deposited 1994-09-29 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 131–297（167 aa）
Chain B 317–404（88 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
1RWK Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid Deposited 2003-12-16 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded 158 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；274 K；0.1M HEPES, 2M (NH4)2SO4, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 274K
Resolution 2.30 Å R-free 0.258
1RWM Crystal structure of human caspase-1 in complex with 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid Deposited 2003-12-16 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded Q2Y 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 200mM Li2SO4, 25% PEG2K MME, 10mM DTT, 3mM NaN3, 2mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.70 Å R-free 0.254
1RWN Crystal structure of human caspase-1 in complex with 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid Deposited 2003-12-16 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded 4QB 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 175mM (NH4)2SO4, 25% PEG2K MME, 10mM DTT, 3mM NaN3, 2mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.00 Å R-free 0.236
1RWO Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid Deposited 2003-12-16 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded BTH 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 200mM Li2SO4, 25% PEG2K MME, 10mM DTT, 3mM NaN3, 2mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.10 Å R-free 0.242
1RWP Crystal structure of human caspase-1 in complex with 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyric acid Deposited 2003-12-16 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded HQC 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 175mM (NH4)2SO4, 25% PEG2K MME, 10mM DTT, 3mM NaN3, 2mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.20 Å R-free 0.245
1RWV Crystal structure of human caspase-1 in complex with 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid Deposited 2003-12-17 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded 5PH 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 14% PEG 6000, 10mM DTT, 3mM NaN3, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.10 Å R-free 0.238
1RWW Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid Deposited 2003-12-17 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded OQB 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 192mM (NH4)2SO4, 25% PEG 2000 MME, 10mM DTT, 3mM NaN3, 2mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.80 Å R-free 0.246
1RWX Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid Deposited 2003-12-17 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Not recorded YBH 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；278 K；0.1M PIPES, 88mM (NH4)2SO4, 25% PEG 2000 MME, 10mM DTT, 3mM NaN3, 2mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 1.85 Å R-free 0.242
1SC1 Crystal structure of an active-site ligand-free form of the human caspase-1 C285A mutant Deposited 2004-02-11 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Mutation：C285A CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；278 K；0.1 M HEPES, 2 M (NH4)2SO4, 25 mM DTT. 0.01% Triton-X was added to the drop to prevent the crystals from attaching themselves to the cover slips., pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 278K
Resolution 2.60 Å R-free 0.273
1SC3 Crystal structure of the human caspase-1 C285A mutant in complex with malonate Deposited 2004-02-11 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Mutation：C285A MLI MALONATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；274 K；2 M sodium malonate, VAPOR DIFFUSION, HANGING DROP, temperature 274K
Resolution 1.80 Å R-free 0.238
1SC4 Crystal structure of the human caspase-1 C285A mutant after removal of malonate Deposited 2004-02-11 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P20
Chain B 317–404（88 aa） Fragment：INTERLEUKIN-1 BETA CONVERTASE P10
Mutation：C285A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；274 K；2 M sodium malonate, VAPOR DIFFUSION, HANGING DROP, temperature 274K. Malonate-bound enzyme crystals were transferred into mother liquor composed of 0.1 M PIPES pH 6, 88 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3 and 2 mM MgCl2, and soaked for 2 days to remove malonate.
Resolution 2.10 Å R-free 0.258
2FQQ Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide Deposited 2006-01-18 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–297（178 aa） Fragment：p20 subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：p10 subunit, residues 317-404
Mutation：C285A Mutation：C362A, C364A, C397A F1G 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；10 mM HEPES, 16.5% PEG 3350, 250 mM (NH4)2SO4, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.30 Å R-free 0.280
2H48 Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-05-23 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：large subunit, residues, 120-297
Chain B 317–404（88 aa） Fragment：small subunit, residues 317-404
Mutation：C362A, C364A, C397A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1M Pipes pH 6.0, 200 mM ammonium sulfate, 25% PEG 2000 MME, 10 mM DTT, 2 mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.272
2H4W Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-05-25 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：p20 subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：p10 subunit, residues 317-404
Mutation：E390D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M PIPES, 200 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, 2 mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.00 Å R-free 0.247
2H4Y Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-05-25 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：p20 subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：p10 subunit, residues 317-404
Mutation：R286K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M PIPES, 200 mM Li2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, 2 mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.235
2H51 Crystal structure of human caspase-1 (Glu390->Asp and Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-05-25 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：p20 subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：p10 subunit, residues 317-404
Mutation：R286K Mutation：E390D No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M PIPES, 200 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, 2 mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.236
2H54 Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-05-25 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：p20 subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：p10 subunit, residues 317-404
Mutation：T388A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M PIPES, 200 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, 2 mM MgCl2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.246
2HBQ Crystal structure of wildtype human caspase-1 in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-06-14 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：P20 Subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：P10 Subunit, residues 317-404
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M Pipes, 200 MM LI2SO4, 25% PEG 2000 MME, 10 MM DTT, 3 MM NAN3, 2 MM MGCL2, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.236
2HBR Crystal structure of human caspase-1 (Arg286->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-06-14 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：P20 Subunit, residues 120-297
Chain B 317–404（88 aa） Fragment：P10 Subunit, residues 317-404
Mutation：R286A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1 M HEPES, 2 M (NH4)2SO4, 25 MM DTT, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.20 Å R-free 0.270
2HBY Crystal structure of human caspase-1 (Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-06-14 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：P20 Subunit, Residues 120-297
Chain B 317–404（88 aa） Fragment：P10 Subunit, Residues 317-404
Mutation：E390A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M Pipes, 350 MM LI2SO4, 20% PEG 2000 MME, 10 MM DTT, 3 MM NAN3, 2 MM MGCL2, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.10 Å R-free 0.258
2HBZ Crystal structure of human caspase-1 (Arg286->Ala, Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2006-06-14 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：P20 Subunit, Residues 120-297
Chain B 317–404（88 aa） Fragment：P10 Subunit, Residues 317-404
Mutation：R286A Mutation：E390A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；0.1 M Pipes, 100 MM LI2SO4, 25% PEG 2000 MME, 10 MM DTT, 3 MM NAN3, 2 MM MGCL2, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.249
3D6F Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2008-05-19 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：Caspase-1 subunit p20
Chain B 317–404（88 aa） Fragment：Caspase-1 subunit p10
Mutation：R240Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Crystals obtained by hanging-drop vapor diffusion at 4 C (277K) against a reservoir of 0.1 M PIPES pH 6.0, 75-175 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, and 2 mM MgCl2. All crystals cryoprotected in mother liquors supplemented with 20% (v/v) glycerol for 30-90 sec and immersion in liquid nitrogen., VAPOR DIFFUSION, HANGING DROP
Resolution 1.90 Å R-free 0.240
3D6H Crystal structure of human caspase-1 with a naturally-occurring Asn263->Ser substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2008-05-19 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：Caspase-1 subunit p20
Chain B 317–404（88 aa） Fragment：Caspase-1 subunit p10
Mutation：N263S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Crystals obtained by hanging-drop vapor diffusion at 4 C (277K) against a reservoir of 0.1 M PIPES pH 6.0, 75-175 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, and 2 mM MgCl2. All crystals cryoprotected in mother liquors supplemented with 20% (v/v) glycerol for 30-90 sec and immersion in liquid nitrogen. , VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.237
3D6M Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Deposited 2008-05-19 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 120–297（178 aa） Fragment：CASP1 p20
Chain B 317–404（88 aa） Fragment：CASP1 p10
Mutation：K319R No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；Crystals obtained by hanging-drop vapor diffusion at 4 C (277K) against a reservoir of 0.1 M PIPES pH 6.0, 75-175 mM (NH4)2SO4, 25% PEG 2000 MME, 10 mM DTT, 3 mM NaN3, and 2 mM MgCl2. All crystals cryoprotected in mother liquors supplemented with 20% (v/v) glycerol for 30-90 sec and immersion in liquid nitrogen., VAPOR DIFFUSION, HANGING DROP
Resolution 1.80 Å R-free 0.247
3E4C Procaspase-1 zymogen domain crystal structure Deposited 2008-08-11 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 104–404（301 aa） Fragment：procaspase-1 zymogen domain (UNP residues 104-404)
Chain B 104–404（301 aa） Fragment：procaspase-1 zymogen domain (UNP residues 104-404)
Mutation：C285A Mutation：C285A MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7.5；277 K；0.2 M MgCl2 20% PEG 3350, pH 7.5, EVAPORATION, temperature 277K
Resolution 2.05 Å R-free 0.263
3NS7 Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1) Deposited 2010-07-01 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 136–297（162 aa） Fragment：UNP residues 136-297
Chain B 317–404（88 aa） Fragment：UNP residues 317-404
Not recorded 3NS (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；276 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 276K
Resolution 2.60 Å
3NS7 Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1) Deposited 2010-07-01 Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 136–297（162 aa） Fragment：UNP residues 136-297
Chain B 317–404（88 aa） Fragment：UNP residues 317-404
Not recorded 3NS (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；276 K；pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 276K
Resolution 2.60 Å
5FNA Cryo-EM reconstruction of caspase-1 CARD Deposited 2015-11-11 Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric（8） Consistent with protein count
Chain A 2–86（85 aa） Fragment：CARD DOMAIN
Chain B 2–86（85 aa） Fragment：CARD DOMAIN
Chain C 2–86（85 aa） Fragment：CARD DOMAIN
Chain D 2–86（85 aa） Fragment：CARD DOMAIN
Chain E 2–86（85 aa） Fragment：CARD DOMAIN
Chain F 2–86（85 aa） Fragment：CARD DOMAIN
Chain G 2–86（85 aa） Fragment：CARD DOMAIN
Chain H 2–86（85 aa） Fragment：CARD DOMAIN
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer 20 MM SODIUM HEPES, 150 MM NACL, 2 MM DTT；pH 8；20 MM SODIUM HEPES, 150 MM NACL, 2 MM DTT
cryo-EM vitrification conditions Cryogen ETHANE；LIQUID ETHANE
Resolution 4.80 Å
5MMV Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) Deposited 2016-12-12 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 120–297（178 aa）
Chain B 317–404（88 aa）
Not recorded WE0 (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；277 K；0.1 M HEPES (pH 7.4), 2 M (NH4)2SO4, and 25 mM DTT
Resolution 2.15 Å R-free 0.249
5MTK Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) Deposited 2017-01-09 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 120–297（178 aa）
Chain B 317–404（88 aa）
Not recorded N7N (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M HEPES (pH 7.4), 2 M (NH4)2SO4 and 25 mM DTT
Resolution 2.53 Å R-free 0.299
6BZ9 Crystal structure of human caspase-1 in complex with Ac-FLTD-CMK Deposited 2017-12-22 Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain A 120–297（178 aa） Fragment：UNP residues 120-297
Chain B 317–404（88 aa） Fragment：UNP residues 317-404
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M sodium formate, 20% w/v PEG3350
Resolution 1.80 Å R-free 0.210
6F6R Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide Deposited 2017-12-06 Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 118–297（180 aa）
Chain B 317–404（88 aa）
Not recorded CVE (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M HEPES (pH7.4), 2 M (NH4)2SO4 and 25 mM DTT
Resolution 1.80 Å R-free 0.205
6F6R Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide Deposited 2017-12-06 Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 118–297（180 aa）
Chain B 317–404（88 aa）
Not recorded CVE (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M HEPES (pH7.4), 2 M (NH4)2SO4 and 25 mM DTT
Resolution 1.80 Å R-free 0.205
6KN0 caspase-1 P20/P10 C285A in complex with human GSDMD-C domain Deposited 2019-08-02 Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain A 131–297（167 aa）
Chain B 317–404（88 aa）
Mutation：C285A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；150 mM KBr, 30% (w/v) polyethylene glycol mono-methyester 2000
Resolution 2.79 Å R-free 0.300
6KN0 caspase-1 P20/P10 C285A in complex with human GSDMD-C domain Deposited 2019-08-02 Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count
Chain C 131–297（167 aa）
Chain D 317–404（88 aa）
Mutation：C285A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；150 mM KBr, 30% (w/v) polyethylene glycol mono-methyester 2000
Resolution 2.79 Å R-free 0.300
6PZP Crystal structure of caspase-1 in complex with VX-765 Deposited 2019-08-01 Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 120–297（178 aa）
Chain B 317–404（88 aa）
Not recorded P7S N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M sodium formate, 20% w/v PEG3350
Resolution 1.94 Å R-free 0.208
6VIE Structure of caspase-1 in complex with gasdermin D Deposited 2020-01-13 Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric（4） Consistent with protein count
Chain A 120–303（184 aa） Fragment：residues 120-316
Chain B 317–404（88 aa） Fragment：residues 317-404
Mutation：C285A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.2 M Ammonium citrate tribasic pH 7.0, 20% PEG3350
Resolution 3.40 Å R-free 0.314
7KEU Cryo-EM structure of the Caspase-1-CARD:ASC-CARD octamer Deposited 2020-10-12 Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric（8） Consistent with protein count
Chain E 2–86（85 aa） Fragment：UNP residues 2-86
Chain F 2–86（85 aa） Fragment：UNP residues 2-86
Chain G 2–86（85 aa） Fragment：UNP residues 2-86
Chain H 2–86（85 aa） Fragment：UNP residues 2-86
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.90 Å
8SV1 Caspase-1 complex with interleukin-18 Deposited 2023-05-15 Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count
Chain A 150–297（148 aa） Fragment：subunit P20 (UNP residues 120-297)
Chain B 317–404（88 aa） Fragment：subunit P10 (UNP residues 317-404)
Chain a 150–297（148 aa） Fragment：subunit P20 (UNP residues 120-297)
Chain b 317–404（88 aa） Fragment：subunit P10 (UNP residues 317-404)
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
8WRA The Crystal Structure of CASP1 from Biortus Deposited 2023-10-13 Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count
Chain A 120–404（285 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.15M Na formate, 14% PEG3350
Resolution 1.45 Å R-free 0.213
8WRA The Crystal Structure of CASP1 from Biortus Deposited 2023-10-13 Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count
Chain A 120–404（285 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；0.15M Na formate, 14% PEG3350
Resolution 1.45 Å R-free 0.213
9WZ6 Full-length Caspase-1-CARD filament Deposited 2025-09-29 Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric（8） Consistent with protein count
Chain A 1–404（404 aa）
Chain B 1–404（404 aa）
Chain C 1–404（404 aa）
Chain D 1–404（404 aa）
Chain E 1–404（404 aa）
Chain F 1–404（404 aa）
Chain G 1–404（404 aa）
Chain H 1–404（404 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.66 Å
9WZI Full-length Caspase-1-CARD filament Deposited 2025-09-29 Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric（8） Consistent with protein count
Chain A 1–404（404 aa）
Chain B 1–404（404 aa）
Chain C 1–404（404 aa）
Chain D 1–404（404 aa）
Chain E 1–404（404 aa）
Chain F 1–404（404 aa）
Chain G 1–404（404 aa）
Chain H 1–404（404 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.00 Å

This page presents structural evidence recorded in PDB/mmCIF.“No recorded non-water small molecule” does not prove that the experimental sample was ligand-free; experimental conditions belong to the PDB experiment, while ligands and copy counts are shown for each biological assembly.