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3NKF	Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached Descriptor: Caspase-6 Authors: Vaidya, S, Hardy, J.A. Deposit date: 2010-06-18 Release date: 2010-12-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Substrate-Induced Conformational Changes Occur in All Cleaved Forms of Caspase-6. J.Mol.Biol., 406, 2011
3NS7	Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1) Descriptor: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1 Authors: Galatsis, P. Deposit date: 2010-07-01 Release date: 2011-08-17 Last modified: 2024-11-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1). Bioorg.Med.Chem.Lett., 20, 2010
3DEH	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: Caspase-3, isoquinoline-1,3,4(2H)-trione Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
3DEI	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3 Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
3DEK	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide Authors: Wu, J, Du, J, Li, J, Ding, J. Deposit date: 2008-06-10 Release date: 2008-09-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
3EDR	The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO Descriptor: Caspase-7, Inhibitor Ac-ldesd-cho peptide Authors: Agniswamy, J. Deposit date: 2008-09-03 Release date: 2008-10-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis, 13, 2008
3E4C	Procaspase-1 zymogen domain crystal structure Descriptor: Caspase-1, MAGNESIUM ION Authors: Elliott, J.M, Rouge, L, Wiesmann, C, Scheer, J.M. Deposit date: 2008-08-11 Release date: 2008-12-30 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal structure of procaspase-1 zymogen domain reveals insight into inflammatory caspase autoactivation J.Biol.Chem., 284, 2009
3EDQ	Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO Descriptor: AC-LDESD-CHO peptide, Caspase-3 Authors: Fu, G. Deposit date: 2008-09-03 Release date: 2008-10-28 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.61 Å) Cite: Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis, 13, 2008
2J32	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
2J31	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
2J30	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
2J33	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
6KN1	P20/P12 of caspase-11 mutant C254A Descriptor: Caspase-4 Authors: Ding, J, Sun, Q. Deposit date: 2019-08-02 Release date: 2020-03-11 Last modified: 2025-03-12 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
7WR0	P32 of caspase-4 C258A mutant Descriptor: Caspase-4 Authors: Hou, Y.J, Zeng, H, Shao, F, Ding, J. Deposit date: 2022-01-26 Release date: 2023-01-25 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis. Nat.Struct.Mol.Biol., 30, 2023
6KMU	P22/P10 complex of caspase-11 mutant C254A Descriptor: Caspase-4 Authors: Ding, J, Sun, Q. Deposit date: 2019-08-01 Release date: 2020-03-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
6KMT	P32 of caspase-11 mutant C254A Descriptor: Caspase-4 Authors: Ding, J, Sun, Q. Deposit date: 2019-08-01 Release date: 2020-03-11 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
2K7Z	Solution Structure of the Catalytic Domain of Procaspase-8 Descriptor: Caspase-8 Authors: Keller, N, Zerbe, O, Mares, J, Gruetter, M.G. Deposit date: 2008-08-28 Release date: 2009-03-24 Last modified: 2024-05-08 Method: SOLUTION NMR Cite: Structural and biochemical studies on procaspase-8: new insights on initiator caspase activation. Structure, 17, 2009
2NN3	structure of pro-sf-caspase-1 Descriptor: Caspase-1 Authors: Fisher, A.J, Ni, L. Deposit date: 2006-10-23 Release date: 2007-10-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3 Å) Cite: Pro-sfcapsase-1, structural insights into activation mechanism of caspases To be Published
7RNG	Crystal structure of caspase-3 with inhibitor Ac-ITAKD-CHO Descriptor: Ac-ITAKD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-06-01 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7RNA	Crystal structure of caspase-3 with inhibitor Ac-ITV(Dab)D-CHO Descriptor: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-06-01 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7RNC	Crystal structure of caspase-3 with inhibitor Ac-VDVVD-CHO Descriptor: Ac-VDVVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-06-15 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Structural Studies to Enable Drug Discovery Thesis, 2021
7RND	Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO Descriptor: Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RN8	Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO Descriptor: Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RNE	Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO Descriptor: Ac-YKPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RN7	Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO Descriptor: Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022

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