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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 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
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
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
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:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and mechanism of interleukin-1 beta converting enzyme.
Nature, 370, 1994
3EDQ
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BU of 3edq by Molmil
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:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3H13
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BU of 3h13 by Molmil
c-FLIPL protease-like domain
Descriptor: CASP8 and FADD-like apoptosis regulator
Authors:Jeffrey, P.D, Yu, J.W, Shi, Y.
Deposit date:2009-04-10
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of procaspase-8 activation by c-FLIPL.
Proc.Natl.Acad.Sci.USA, 106, 2009
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
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2009-04-13
Release date:2009-06-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
3E4C
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BU of 3e4c by Molmil
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
3EDR
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BU of 3edr by Molmil
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
3H11
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BU of 3h11 by Molmil
Zymogen caspase-8:c-FLIPL protease domain complex
Descriptor: CASP8 and FADD-like apoptosis regulator, Caspase-8, IETD aldehyde inhibitor
Authors:Jeffrey, P.D, Yu, J.W, Shi, Y.
Deposit date:2009-04-10
Release date:2009-04-28
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of procaspase-8 activation by c-FLIPL.
Proc.Natl.Acad.Sci.USA, 106, 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:2011-07-13
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
3H0E
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BU of 3h0e by Molmil
3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3
Descriptor: (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3
Authors:Xu, W.
Deposit date:2009-04-09
Release date:2009-11-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 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
4M9R
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BU of 4m9r by Molmil
Crystal structure of CED-3
Descriptor: Cell death protein 3
Authors:Xu, Y, Jeffrey, P.D, Shi, Y.G.
Deposit date:2013-08-15
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.656 Å)
Cite:Mechanistic insights into CED-4-mediated activation of CED-3
Genes Dev., 27, 2013
7QP1
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BU of 7qp1 by Molmil
Crystal structure of metacaspase from candida glabrata with calcium
Descriptor: CALCIUM ION, CHLORIDE ION, Metacaspase-1
Authors:Conchou, L, Ballut, L, Violot, S, Aghajari, N.
Deposit date:2021-12-30
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
7QP0
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BU of 7qp0 by Molmil
Crystal structure of metacaspase from candida glabrata with magnesium
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Metacaspase-1
Authors:Conchou, L, Ballut, L, Violot, S, Aghajari, N.
Deposit date:2021-12-30
Release date:2023-01-11
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
3S70
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BU of 3s70 by Molmil
Crystal structure of active caspase-6 bound with Ac-VEID-CHO solved by As-SAD
Descriptor: ACETATE ION, CACODYLATE ION, Caspase-6, ...
Authors:Su, X.-D, Liu, X, Wang, X.-J.
Deposit date:2011-05-26
Release date:2012-04-11
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.625 Å)
Cite:Get phases from arsenic anomalous scattering: de novo SAD phasing of two protein structures crystallized in cacodylate buffer
Plos One, 6, 2011
4NBN
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BU of 4nbn by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N5D
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BU of 4n5d by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ...
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-09
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
8DGZ
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BU of 8dgz by Molmil
Caspase-7 bound to substrate mimic and allosteric inhibitor
Descriptor: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7
Authors:Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A.
Deposit date:2022-06-24
Release date:2023-07-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
8DJ3
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BU of 8dj3 by Molmil
Caspase-7 bound to novel allosteric inhibitor
Descriptor: 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7
Authors:Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A.
Deposit date:2022-06-29
Release date:2023-07-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
7RND
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BU of 7rnd by Molmil
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:2024-02-07
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

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