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2CNN
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BU of 2cnn by Molmil
Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors.
Descriptor: AZA-PEPTIDE EXPOXIDE, Caspase-3
Authors:Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G.
Deposit date:2006-05-22
Release date:2007-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors
Biochemistry, 45, 2006
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:2012-12-12
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
3SIR
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BU of 3sir by Molmil
Crystal Structure of drICE
Descriptor: Caspase
Authors:Li, X, Wang, J, Shi, Y.
Deposit date:2011-06-20
Release date:2011-08-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Structural mechanisms of DIAP1 auto-inhibition and DIAP1-mediated inhibition of drICE.
Nat Commun, 2, 2011
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
1NME
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BU of 1nme by Molmil
Structure of Casp-3 with tethered salicylate
Descriptor: 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
Authors:Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
Deposit date:2003-01-09
Release date:2003-03-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMQ
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BU of 1nmq by Molmil
Extendend Tethering: In Situ Assembly of Inhibitors
Descriptor: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
Authors:Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
Deposit date:2003-01-10
Release date:2003-03-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1QTN
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BU of 1qtn by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TETRAPEPTIDE INHIBITOR ACE-IETD-ALDEHYDE
Descriptor: ACETYL-ILE-GLU-THR-ASP-ALDEHYDE, CASPASE-8, DITHIANE DIOL
Authors:Watt, W, Watenpaugh, K.D.
Deposit date:1999-06-28
Release date:2000-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The atomic-resolution structure of human caspase-8, a key activator of apoptosis.
Structure Fold.Des., 7, 1999
3R5J
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BU of 3r5j by Molmil
Crystal structure of active caspase-2 bound with Ac-ADVAD-CHO
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)ADVAD-CHO
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-18
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.77 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:2012-12-12
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:2012-12-12
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
1QDU
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BU of 1qdu by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TRIPEPTIDE KETONE INHIBITOR ZEVD-DCBMK
Descriptor: CASPASE-8 ALPHA-CHAIN, CASPASE-8 BETA-CHAIN, PHQ-GLU-VAL-ASP-DICHLOROMETHYLKETONE INHIBITOR
Authors:Blanchard, H, Grutter, M.G.
Deposit date:1999-07-10
Release date:2000-07-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The three-dimensional structure of caspase-8: an initiator enzyme in apoptosis.
Structure Fold.Des., 7, 1999
1QX3
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BU of 1qx3 by Molmil
Conformational restrictions in the active site of unliganded human caspase-3
Descriptor: Apopain
Authors:Ni, C.-Z, Li, C, Wu, J.C, Spada, A.P, Ely, K.R.
Deposit date:2003-09-04
Release date:2003-10-07
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational restrictions in the active site of unliganded human caspase-3
J.MOL.RECOG., 16, 2003
2AR9
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BU of 2ar9 by Molmil
Crystal structure of a dimeric caspase-9
Descriptor: Caspase-9, D-MALATE
Authors:Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y.
Deposit date:2005-08-19
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
3S8E
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BU of 3s8e by Molmil
Phosphorylation regulates assembly of the caspase-6 substrate-binding groove
Descriptor: Caspase-6
Authors:Velazquez-Delgado, E.M, Hardy, J.A.
Deposit date:2011-05-27
Release date:2012-04-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Phosphorylation regulates assembly of the caspase-6 substrate-binding groove.
Structure, 20, 2012
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:2023-09-13
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
1RE1
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BU of 1re1 by Molmil
CRYSTAL STRUCTURE OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Descriptor: (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-06
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis
J.Med.Chem., 47, 2004
2CJY
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BU of 2cjy by Molmil
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Descriptor: CASPASE-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
Authors:Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G.
Deposit date:2006-04-09
Release date:2006-06-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-Ray Structure Analysis
J.Mol.Biol., 359, 2006
1RHK
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BU of 1rhk by Molmil
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
Descriptor: Caspase-3, acetyl-asp-glu-val-fpr
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHM
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BU of 1rhm by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Descriptor: 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID, CASP-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RWK
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BU of 1rwk by Molmil
Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid
Descriptor: 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
3R6G
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BU of 3r6g by Molmil
Crystal structure of active caspase-2 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:2012-12-12
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7S
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BU of 3r7s by Molmil
Crystal Structure of Apo Caspase2
Descriptor: Caspase-2 subunit p12, Caspase-2 subunit p18
Authors:Tang, Y, Wells, J, Arkin, M.
Deposit date:2011-03-22
Release date:2011-07-27
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.252 Å)
Cite:Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
1RHR
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BU of 1rhr by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
Descriptor: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
2DKO
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BU of 2dko by Molmil
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Descriptor: Caspase-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
Authors:Mittl, P.R.E, Ganesan, R, Jelakovic, S, Grutter, M.G.
Deposit date:2006-04-12
Release date:2006-07-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-ray Structure Analysis
J.Mol.Biol., 359, 2006
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

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数据于2024-06-12公开中

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