PDB: 2232 resultsInfo pagesStatus searchChemie searchBIRD

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3GJT	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	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	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
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
4EHA	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.696 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
4EHH	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
4EHN	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
4EHF	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.655 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
4EHK	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.668 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
4EHL	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.799 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
4EHD	Allosteric Modulation of Caspase-3 through Mutagenesis Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Walters, J, Schipper, J.L, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2012-04-02 Release date: 2012-06-06 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (1.581 Å) Cite: Allosteric modulation of caspase 3 through mutagenesis. Biosci.Rep., 32, 2012
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
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
1GFW	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
2C1E	Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ... Authors: Grutter, M.G. Deposit date: 2005-09-14 Release date: 2006-09-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10. J.Med.Chem., 49, 2006
2C2M	Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14 -PENTAAZAHEXADECAN-16-OIC ACID, ... Authors: Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. Deposit date: 2005-09-29 Release date: 2006-09-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10. J.Med.Chem., 49, 2006
2C2O	Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ... Authors: Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. Deposit date: 2005-09-29 Release date: 2006-09-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10. J.Med.Chem., 49, 2006
2C2K	Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. Descriptor: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ... Authors: Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. Deposit date: 2005-09-29 Release date: 2006-09-20 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10. J.Med.Chem., 49, 2006
4DCJ	Crystal structure of caspase 3, L168D mutant Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Chung, S.J, Kang, H.J, Kim, S.J. Deposit date: 2012-01-17 Release date: 2012-12-12 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7 Biosci.Rep., 32, 2012
4DCP	Crystal Structure of caspase 3, L168F mutant Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Chung, S.J, Kang, H.J, Kim, S.J. Deposit date: 2012-01-18 Release date: 2012-12-12 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7 Biosci.Rep., 32, 2012
2CDR	Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. Descriptor: AZA-PEPTIDE EXPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 Authors: Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Gruetter, M.G. Deposit date: 2006-01-27 Release date: 2007-03-20 Last modified: 2023-11-15 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
2CNL	Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. Descriptor: AZA-PEPTIDE EPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 Authors: Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Grutter, M.G, Powers, J.C. Deposit date: 2006-05-22 Release date: 2007-05-22 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors Biochemistry, 45, 2006
2CNK	Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. Descriptor: AZA-PEPTIDE EXPOXIDE, CASPASE-3 P12 SUBUNIT, CASPASE-3 P17 SUBUNIT 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: 2023-11-15 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors Biochemistry, 45, 2006
4DCO	Crystal Structure of caspase 3, L168Y mutant Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: Chung, S.J, Kang, H.J, Kim, S.J. Deposit date: 2012-01-18 Release date: 2012-12-12 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7 Biosci.Rep., 32, 2012
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

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