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3GJQ
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BU of 3gjq by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor
Authors:Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
Deposit date:2009-03-09
Release date:2009-03-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3GJR
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BU of 3gjr by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ...
Authors:Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
Deposit date:2009-03-09
Release date:2009-03-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3GJT
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BU of 3gjt by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
Descriptor: Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor
Authors:Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
Deposit date:2009-03-09
Release date:2009-03-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3R7N
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BU of 3r7n by Molmil
Caspase-2 bound with two copies of Ac-DVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R6L
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BU of 3r6l by Molmil
Caspase-2 T380A bound with Ac-VDVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-21
Release date:2011-07-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7B
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BU of 3r7b by Molmil
Caspase-2 bound to one copy of Ac-DVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3QNW
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BU of 3qnw by Molmil
Caspase-6 in complex with Z-VAD-FMK inhibitor
Descriptor: Caspase-6, Z-VAD-FMK
Authors:Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
Deposit date:2011-02-09
Release date:2011-09-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of human caspase-6 in complex with Z-VAD-FMK: New peptide binding mode observed for the non-canonical caspase conformation.
Bioorg.Med.Chem.Lett., 21, 2011
4JJ8
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BU of 4jj8 by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase Inhibitor, Caspase-7
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.937 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JJE
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BU of 4jje by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase inhibitor, Caspase-3
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4JJ7
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BU of 4jj7 by Molmil
Caspase-3 specific unnatural amino acid-based peptides
Descriptor: Caspase inhibitor, Caspase-8, DITHIANE DIOL
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.178 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
4LSZ
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BU of 4lsz by Molmil
Caspase-7 in Complex with DARPin D7.18
Descriptor: Caspase-7 subunit p10, Caspase-7 subunit p20, DARPin D7.18
Authors:Fluetsch, A, Lukarska, M, Gruetter, M.G.
Deposit date:2013-07-23
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Combined inhibition of caspase 3 and caspase 7 by two highly selective DARPins slows down cellular demise.
Biochem.J., 461, 2014
8SPB
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BU of 8spb by Molmil
Caspase-4/Pro-IL-18 complex
Descriptor: Caspase-4 subunit p10, Caspase-4 subunit p20, Interleukin-18
Authors:Pascal, D, Dong, Y, Wu, H, Jon, K.
Deposit date:2023-05-02
Release date:2023-11-22
Last modified:2025-05-21
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into cytokine cleavage by inflammatory caspase-4.
Nature, 624, 2023
4ZVU
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BU of 4zvu by Molmil
Caspase-7 wild-type bound to the caspase-6 cognate tetrapeptide inhibitor Ac-VEID-cho
Descriptor: Caspase-7, Tetrapeptide Inhibitor Ac-VEID-CHO
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 (2.601 Å)
Cite:Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVR
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BU of 4zvr by Molmil
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
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BU of 4zvt by Molmil
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
4ZVS
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BU of 4zvs by Molmil
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
4ZVP
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BU of 4zvp by Molmil
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:2024-10-30
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
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BU of 4zvo by Molmil
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
4ZVQ
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BU of 4zvq by Molmil
Caspase-7 Variant 2 (V2) with reprogrammed substrate specificity due to Y230V/W232M/Q276C substitutions bound to VEID inhibitor.
Descriptor: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASA
Authors:Hill, M.E, MacPherson, D.J, Hardy, J.A.
Deposit date:2015-05-18
Release date:2016-04-20
Last modified:2024-11-20
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
2XYG
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BU of 2xyg by Molmil
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
Last modified:2024-11-13
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
2XYP
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BU of 2xyp by Molmil
Caspase-3:CAS26049945
Descriptor: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
Authors:Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
Deposit date:2010-11-18
Release date:2011-08-17
Last modified:2025-10-01
Method:X-RAY DIFFRACTION (1.86 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
3RJM
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BU of 3rjm by Molmil
CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c
Descriptor: Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO
Authors:Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S.
Deposit date:2011-04-15
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.
Bioorg.Med.Chem., 19, 2011
1F9E
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BU of 1f9e by Molmil
CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO
Descriptor: (PHQ)DEVD, Caspase-8 subunit p10, Caspase-8 subunit p18
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:2024-10-30
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
3GJS
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BU of 3gjs by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
Descriptor: Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
Deposit date:2009-03-09
Release date:2009-03-24
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3PCX
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BU of 3pcx by Molmil
Caspase-3 E246A, K242A Double Mutant
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011

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