PDB: 342 resultsInfo pagesStatus searchChemie searchBIRD

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3NKF	Crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached Descriptor: Caspase-6 Authors: Vaidya, S, Hardy, J.A. Deposit date: 2010-06-18 Release date: 2010-12-08 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Substrate-Induced Conformational Changes Occur in All Cleaved Forms of Caspase-6. J.Mol.Biol., 406, 2011
3PCX	Caspase-3 E246A, K242A Double Mutant Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK Authors: Walters, J, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2010-10-22 Release date: 2011-02-23 Last modified: 2012-12-12 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
3PD1	Caspase-3 K242A Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK Authors: Walters, J, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2010-10-22 Release date: 2011-02-23 Last modified: 2013-02-27 Method: X-RAY DIFFRACTION (1.62 Å) Cite: Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
3PD0	Caspase-3 E246A Descriptor: CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK Authors: Walters, J, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2010-10-22 Release date: 2011-02-16 Last modified: 2012-12-12 Method: X-RAY DIFFRACTION (2 Å) Cite: Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3. Arch.Biochem.Biophys., 508, 2011
4N5D	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
4NBN	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
4N7J	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-15 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.673 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBL	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-23 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.756 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
3P4U	Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor Descriptor: Ac-VEID-CHO inhibitor, Caspase-6 Authors: Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A. Deposit date: 2010-10-07 Release date: 2011-09-28 Last modified: 2015-12-02 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structures of active and inhibitor-bound human Casp6 To be Published
4N6G	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-11 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.142 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
4NBK	Tailoring Small Molecules for an Allosteric Site on Procaspase-6 Descriptor: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION Authors: Murray, J.M, Steffek, M. Deposit date: 2013-10-23 Release date: 2014-01-01 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.936 Å) Cite: Tailoring small molecules for an allosteric site on procaspase-6. Chemmedchem, 9, 2014
1GQF	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
1F9E	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	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: 2024-10-16 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	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
1F1J	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
1ICE	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	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	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	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	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
3EDR	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
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
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

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