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4PRZ	Caspase-8 specific unnatural amino acid peptides Descriptor: (ACE)LET(1U8) PEPTIDE, Caspase-8, DITHIANE DIOL Authors: Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.123 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
4PRY	Caspase-8 specific unnatural amino acid peptides Descriptor: Ac-LETD-CHO, Caspase-3 Authors: Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
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
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
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
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
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
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
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
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
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
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) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Rosen-Wolff, A, Roesler, J, Romanowski, M.J. Deposit date: 2008-05-19 Release date: 2010-03-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever). To be Published, 2008
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) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Rosen-Wolff, A, Roesler, J, Romanowski, M.J. Deposit date: 2008-05-19 Release date: 2010-03-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever). To be Published
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) Descriptor: Caspase-1, Caspase-1 precursor, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Rosen-Wolff, A, Roesler, J, Romanowski, M.J. Deposit date: 2008-05-19 Release date: 2010-03-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever). To be Published, 2008
3DEJ	Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors Descriptor: (1S)-1-(3-chlorophenyl)-2-oxo-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 (2.6 Å) Cite: Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species J.Biol.Chem., 283, 2008
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
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: 2023-11-22 Method: X-RAY DIFFRACTION (1.9 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
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
4ZVR	Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor. Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVT	Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to VEID inhibitor. Descriptor: Caspase-7, VEID inhibitor Authors: Hardy, J.A, MacPherson, D.J, Hill, M.E. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVP	Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to DEVD inhibitor. Descriptor: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASA Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVS	Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to DEVD inhibitor. Descriptor: Caspase-7, DEVD inhibitor Authors: MacPherson, D.J, Hill, M.E, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016
4ZVO	Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor. Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ Authors: Hill, M.E, MacPherson, D.J, Hardy, J.A. Deposit date: 2015-05-18 Release date: 2016-04-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition. Acs Chem.Biol., 11, 2016

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