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6X8L
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BU of 6x8l by Molmil
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
2WDP
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Crystal Structure of Ligand Free Human Caspase-6
Descriptor: CASPASE-6, PHOSPHATE ION
Authors:Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M.
Deposit date:2009-03-25
Release date:2009-10-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
6X8K
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Caspase-3 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-3, 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 (2.17 Å)
Cite:Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
1F1J
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BU of 1f1j by Molmil
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
2XYH
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BU of 2xyh by Molmil
Caspase-3:CAS60254719
Descriptor: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
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 (1.89 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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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:2017-06-28
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
2XZD
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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
2Y0B
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Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R
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:2010-12-01
Release date:2011-12-21
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
2XYG
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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
1F9E
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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
7WR0
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BU of 7wr0 by Molmil
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
2Y1L
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BU of 2y1l by Molmil
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:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Caspase-8 in Complex with Darpin-8.4
To be Published
2XZT
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BU of 2xzt by Molmil
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
1GFW
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BU of 1gfw by Molmil
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
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BU of 1gqf by Molmil
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
1IBC
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BU of 1ibc by Molmil
CRYSTAL STRUCTURE OF INHIBITED INTERLEUKIN-1BETA CONVERTING ENZYME
Descriptor: INTERLEUKIN-1BETA CONVERTING ENZYME, PEPTIDE ACE-TRP-GLU-HIS-ASA
Authors:Becker, J.W, Rotonda, J.
Deposit date:1997-02-12
Release date:1998-02-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:A combinatorial approach for determining protease specificities: application to interleukin-1beta converting enzyme (ICE).
Chem.Biol., 4, 1997
1ICE
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BU of 1ice by Molmil
STRUCTURE AND MECHANISM OF INTERLEUKIN-1BETA CONVERTING ENZYME
Descriptor: INTERLEUKIN-1 BETA CONVERTING ENZYME, TETRAPEPTIDE ALDEHYDE
Authors:Wilson, K.P, Griffith, J.P, Kim, E.E, Navia, M.A.
Deposit date:1994-09-29
Release date:1995-07-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of interleukin-1 beta converting enzyme.
Nature, 370, 1994
3BIJ
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BU of 3bij by Molmil
Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13
Descriptor: Uncharacterized protein GSU0716
Authors:Forouhar, F, Neely, H, Su, M, Seetharaman, J, Benach, J, Conover, K, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-11-30
Release date:2007-12-11
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of protein GSU0716 from Geobacter sulfurreducens.
To be Published
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:2011-08-17
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
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:2011-07-13
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
3IBF
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BU of 3ibf by Molmil
Crystal structure of unliganded caspase-7
Descriptor: Caspase-7
Authors:Agniswamy, J.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3IBC
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BU of 3ibc by Molmil
Crystal Structure of Caspase-7 incomplex with Acetyl-YVAD-CHO
Descriptor: Acetyl-YVAD-CHO, Caspase-7
Authors:Agniswamy, J.
Deposit date:2009-07-15
Release date:2009-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3ITN
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BU of 3itn by Molmil
Crystal structure of Pseudo-activated Procaspase-3
Descriptor: ACETYL-ASP-GLU-VAL-ASP-CHLOROMETHYL KETONE inhibitor, Caspase-3
Authors:Walters, J, Pop, C, Scott, F.L, Drag, M, Swartz, P.D, Mattos, C, Salvesen, G.S, Clark, A.C.
Deposit date:2009-08-28
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A constitutively active and uninhibitable caspase-3 zymogen efficiently induces apoptosis.
Biochem.J., 424, 2009
3K7E
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BU of 3k7e by Molmil
Crystal structure of human ligand-free mature caspase-6
Descriptor: Caspase-6
Authors:Vaidya, S, Hardy, J.A.
Deposit date:2009-10-13
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure-function analysis of caspase-6
To be Published
3KJF
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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

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