PDB: 342 resultsInfo pagesStatus searchChemie searchBIRD

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2CNN	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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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