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3KJF	Caspase 3 Bound to a covalent inhibitor Descriptor: (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 Authors: Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. Deposit date: 2009-11-03 Release date: 2010-08-11 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
3KJN	Caspase 8 bound to a covalent inhibitor Descriptor: (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 Authors: Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. Deposit date: 2009-11-03 Release date: 2010-08-11 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
6W8S	Crystal structure of metacaspase 4 from Arabidopsis Descriptor: Metacaspase-4, SULFATE ION Authors: Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. Deposit date: 2020-03-21 Release date: 2020-05-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.484 Å) Cite: Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
6W8T	Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium) Descriptor: Metacaspase-4, SULFATE ION Authors: Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. Deposit date: 2020-03-21 Release date: 2020-05-20 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
3KJQ	Caspase 8 with covalent inhibitor Descriptor: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8 Authors: Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. Deposit date: 2009-11-03 Release date: 2010-08-11 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
7USQ	Crystal Structure of Caspase-3 with Peptide Inhibitor AcDVPD-CHO Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcDVPD-CHO Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2022-04-25 Release date: 2022-06-01 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.71 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7USO	Crystal Structure of Caspase-3 with Peptide Inhibitor AcITVKD-CHO Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITVKD-CHO Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2022-04-25 Release date: 2022-06-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
7USP	Crystal Structure of Caspase-3 with Peptide Inhibitor AcITV(Orn)D-CHO Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, Peptide Inhibitor AcITV(Orn)D-CHO Authors: Fuller, J.L, Finzel, B.C. Deposit date: 2022-04-25 Release date: 2022-06-01 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis. Arch Pharm, 355, 2022
8WRA	The Crystal Structure of CASP1 from Biortus Descriptor: 1,2-ETHANEDIOL, Caspase-1 Authors: Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. Deposit date: 2023-10-13 Release date: 2023-11-15 Method: X-RAY DIFFRACTION (1.45 Å) Cite: The Crystal Structure of CASP1 from Biortus. To Be Published
4AFR	THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI Descriptor: METACASPASE Authors: McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. Deposit date: 2012-01-23 Release date: 2012-05-02 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
4AFV	THE STRUCTURE OF METACASPASE 2 FROM T. BRUCEI DETERMINED IN THE PRESENCE OF CALCIUM CHLORIDE Descriptor: METACASPASE MCA2 Authors: McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. Deposit date: 2012-01-23 Release date: 2012-05-02 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
4AFP	The structure of metacaspase 2 from T. brucei determined in the presence of Samarium Descriptor: METACASPASE MCA2, SAMARIUM (III) ION Authors: McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. Deposit date: 2012-01-23 Release date: 2012-05-02 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
4AF8	The structural basis for metacaspase substrate specificity and activation Descriptor: CHLORIDE ION, METACASPASE MCA2, SODIUM ION Authors: McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. Deposit date: 2012-01-18 Release date: 2012-05-02 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
1CP3	CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC Descriptor: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN Authors: Mittl, P.R.E, Dimarco, S, Gruetter, M.G. Deposit date: 1996-12-12 Release date: 1997-12-24 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone. J.Biol.Chem., 272, 1997
1F9E	CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO Descriptor: (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN Authors: Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G. Deposit date: 2000-07-10 Release date: 2001-07-10 Last modified: 2018-01-24 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex. J.Mol.Biol., 302, 2000
1GFW	THE 2.8 ANGSTROM CRYSTAL STRUCTURE OF CASPASE-3 (APOPAIN OR CPP32)IN COMPLEX WITH AN ISATIN SULFONAMIDE INHIBITOR. Descriptor: 1-METHYL-5-(2-PHENOXYMETHYL-PYRROLIDINE-1-SULFONYL)-1H-INDOLE-2,3-DIONE, CASPASE-3 (APOPAIN, P10), ... Authors: Concha, N.O, Janson, C.A. Deposit date: 2000-06-16 Release date: 2000-06-23 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Potent and selective nonpeptide inhibitors of caspases 3 and 7 inhibit apoptosis and maintain cell functionality. J.Biol.Chem., 275, 2000
1GQF	Crystal structure of human procaspase-7 Descriptor: Caspase-7, SULFATE ION Authors: Riedl, S, Bode, W, Fuentes-Prior, P. Deposit date: 2001-11-23 Release date: 2002-01-04 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural basis for the activation of human procaspase-7. Proc. Natl. Acad. Sci. U.S.A., 98, 2001
1F1J	CRYSTAL STRUCTURE OF CASPASE-7 IN COMPLEX WITH ACETYL-ASP-GLU-VAL-ASP-CHO Descriptor: ACE-ASP-GLU-VAL-ASP-CHO, CASPASE-7 PROTEASE, SULFATE ION Authors: Wei, Y, Charifson, P.S. Deposit date: 2000-05-19 Release date: 2001-05-23 Last modified: 2013-07-03 Method: X-RAY DIFFRACTION (2.35 Å) Cite: The structures of caspases-1, -3, -7 and -8 reveal the basis for substrate and inhibitor selectivity. Chem.Biol., 7, 2000
6W8R	Crystal structure of metacaspase 4 C139A from Arabidopsis Descriptor: Metacaspase-4, SULFATE ION Authors: Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. Deposit date: 2020-03-21 Release date: 2020-05-20 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.801 Å) Cite: Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
2Y1L	Caspase-8 in Complex with DARPin-8.4 Descriptor: 1,2-ETHANEDIOL, AC-IETD-CHO, Caspase-8, ... Authors: Barandun, J, Schroeder, T, Mittl, P.R.E, Grutter, M.G. Deposit date: 2010-12-08 Release date: 2011-12-28 Last modified: 2024-08-07 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Caspase-8 in Complex with Darpin-8.4 To be Published
2XZT	Caspase-3 in Complex with DARPin-3.4_I78S Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CASPASE-3, DARPIN-3.4_I78S Authors: Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. Deposit date: 2010-11-29 Release date: 2011-12-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Caspase-3 in Complex with Darpin-3.4_I78S To be Published
2XYG	Caspase-3:CAS329306 Descriptor: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide Authors: Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. Deposit date: 2010-11-17 Release date: 2011-08-17 Method: X-RAY DIFFRACTION (1.54 Å) Cite: In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety. Acta Crystallogr.,Sect.F, 67, 2011
2XZD	Caspase-3 in Complex with an Inhibitory DARPin-3.4 Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ... Authors: Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. Deposit date: 2010-11-24 Release date: 2011-12-14 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors. Structure, 21, 2013
6X8H	Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct Descriptor: Ac-DW3-KE, Caspase-8 Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.48 Å) Cite: Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct To Be Published
6X8L	Caspase-7 in complex with elongated ketomethylene inhibitor Descriptor: Caspase-7, ketomethylene inhibitor Authors: Solania, A, Xu, J.H, Wolan, D.W. Deposit date: 2020-06-01 Release date: 2021-06-02 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Caspase-7 in complex with elongated ketomethylene inhibitor To Be Published

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