UniProt P42574
Caspase-3 (P42574)
Caspase-3 (UniProt P42574), EC 3.4.22.56: 232 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 9 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P42574
- Protein
- Caspase-3
- EC
- 3.4.22.56
- Experimental structures
- 232
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 9 · 2 records with a druggable one
Structures
233 records of P42574 in the MolNFT archive: 232 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1CP3 | Crystal structure of the complex of apopain with the tetrapeptide inhibitor ACE-dvad-fmc | x-ray diffraction | A, B | — | — |
| 1CP3 | Crystal structure of the complex of apopain with the tetrapeptide inhibitor ACE-dvad-fmc | x-ray diffraction | A, B | — | — |
| 1GFW | The 2.8 ångström crystal structure of caspase-3 (apopain or CPP32)IN complex with an isatin… | x-ray diffraction | A, B | — | — |
| 1GFW | The 2.8 ångström crystal structure of caspase-3 (apopain or CPP32)IN complex with an isatin… | x-ray diffraction | A, B | — | — |
| 1I3O | Crystal structure of the complex of xiap-BIR2 and caspase 3 | x-ray diffraction | A, B, C, D | — | — |
| 1I3O | Crystal structure of the complex of xiap-BIR2 and caspase 3 | x-ray diffraction | A, B, C, D | — | — |
| 1NME | Structure of Casp-3 with tethered salicylate | x-ray diffraction | A, B | — | — |
| 1NME | Structure of casp-3 with tethered salicylate | x-ray diffraction | A, B | — | — |
| 1NMQ | Extendend Tethering: In Situ Assembly of Inhibitors | x-ray diffraction | A, B | — | — |
| 1NMQ | Extendend tethering: in situ assembly of inhibitors | x-ray diffraction | A, B | — | — |
| 1NMS | Caspase-3 tethered to irreversible inhibitor | x-ray diffraction | A, B | — | — |
| 1NMS | Caspase-3 tethered to irreversible inhibitor | x-ray diffraction | A, B | — | — |
| 1PAU | Crystal structure of the complex of apopain with the tetrapeptide aldehyde inhibitor AC-DEVD-CHO | x-ray diffraction | A, B | — | — |
| 1PAU | Crystal structure of the complex of apopain with the tetrapeptide aldehyde inhibitor ac-devd-cho | x-ray diffraction | A, B | — | — |
| 1QX3 | Conformational restrictions in the active site of unliganded human caspase-3 | x-ray diffraction | A | — | — |
| 1QX3 | Conformational restrictions in the active site of unliganded human caspase-3 | x-ray diffraction | A | — | — |
| 1RE1 | Crystal structure of caspase-3 with a nicotinic acid aldehyde inhibitor | x-ray diffraction | A, B | — | — |
| 1RE1 | Crystal structure of caspase-3 with a nicotinic acid aldehyde inhibitor | x-ray diffraction | A, B | — | — |
| 1RHJ | Crystal structure of the complex of caspase-3 with a pryazinone inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 1RHJ | Crystal structure of the complex of caspase-3 with a pryazinone inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 1RHK | Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor | x-ray diffraction | A, B | — | — |
| 1RHK | Crystal structure of the complex of caspase-3 with a phenyl-propyl- ketone inhibitor | x-ray diffraction | A, B | — | — |
| 1RHM | Crystal structure of the complex of caspase-3 with a nicotinic acid aldehyde inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 1RHM | Crystal structure of the complex of caspase-3 with a nicotinic acid aldehyde inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 1RHQ | Crystal structure of the complex of caspase-3 with a bromomethoxyphenyl inhibitor | x-ray diffraction | A, B, D, E | — | — |
| 1RHQ | Crystal structure of the complex of caspase-3 with a bromomethoxyphenyl inhibitor | x-ray diffraction | A, B, D, E | — | — |
| 1RHR | Crystal structure of the complex of caspase-3 with a cinnamic acid methyl ester inhibitor | x-ray diffraction | A, B | — | — |
| 1RHR | Crystal structure of the complex of caspase-3 with a cinnamic acid methyl ester inhibitor | x-ray diffraction | A, B | — | — |
| 1RHU | Crystal structure of the complex of caspase-3 with a 5,6,7 tricyclic peptidomimetic inhibitor | x-ray diffraction | A, B | — | — |
| 1RHU | Crystal structure of the complex of caspase-3 with a 5,6,7 tricyclic peptidomimetic inhibitor | x-ray diffraction | A, B | — | — |
| 2C1E | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C1E | Crystal structures of caspase-3 in complex with aza-peptide michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C2K | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C2K | Crystal structures of caspase-3 in complex with aza-peptide michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C2M | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C2M | Crystal structures of caspase-3 in complex with aza-peptide michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C2O | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2C2O | Crystal structures of caspase-3 in complex with aza-peptide michael acceptor inhibitors. | x-ray diffraction | A, B | — | — |
| 2CDR | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CDR | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CJX | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | x-ray diffraction | A, B | — | — |
| 2CJX | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | x-ray diffraction | A, B | — | — |
| 2CJY | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | x-ray diffraction | A, B | — | — |
| 2CJY | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | x-ray diffraction | A, B | — | — |
| 2CNK | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNK | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNL | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNL | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNN | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNN | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNO | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2CNO | Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | x-ray diffraction | A, B | — | — |
| 2DKO | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | x-ray diffraction | A, B | — | — |
| 2DKO | Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis | x-ray diffraction | A, B | — | — |
| 2H5I | Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho | x-ray diffraction | A, B | — | — |
| 2H5I | Crystal structure of caspase-3 with inhibitor ac-devd-cho | x-ray diffraction | A, B | — | — |
| 2H5J | Crystal strusture of caspase-3 with inhibitor Ac-DMQD-Cho | x-ray diffraction | A, B, C, D | — | — |
| 2H5J | Crystal strusture of caspase-3 with inhibitor ac-dmqd-cho | x-ray diffraction | A, B, C, D | — | — |
| 2H65 | Crystal strusture of caspase-3 with inhibitor Ac-VDVAD-Cho | x-ray diffraction | A, B, C, D | — | — |
| 2H65 | Crystal strusture of caspase-3 with inhibitor ac-vdvad-cho | x-ray diffraction | A, B, C, D | — | — |
173 records more on the page itself.
Ligands
Experiment against prediction
- 5IC4 chain C against the predicted model P42574: TM-score 1.00, RMSD 0.22 Å
- 5IC4 chain C against the predicted model P42574: TM-score 1.00, RMSD 0.22 Å
- 5IC4 chain E against the predicted model P42574: TM-score 1.00, RMSD 0.24 Å
- 5IC4 chain E against the predicted model P42574: TM-score 1.00, RMSD 0.24 Å
- 6BG4 chain B against the predicted model P42574: TM-score 1.00, RMSD 0.25 Å
- 6BG4 chain B against the predicted model P42574: TM-score 1.00, RMSD 0.25 Å
- 1RHJ chain A against the predicted model P42574: TM-score 1.00, RMSD 0.25 Å
- 1RHJ chain A against the predicted model P42574: TM-score 1.00, RMSD 0.25 Å
- 3KJF chain A against the predicted model P42574: TM-score 1.00, RMSD 0.25 Å
- 3KJF chain A against the predicted model P42574: TM-score 1.00, RMSD 0.25 Å
Elsewhere
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