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4QTX	Caspase-3 Y195A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-09 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.974 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUD	Caspase-3 T140F Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.995 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
2J31	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2019-05-08 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
4PS0	Caspase-8 specific unnatural amino acid peptides Descriptor: (BAL)LQ(HYP)(1U8) PEPTIDE, Caspase-3 Authors: Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
4PRZ	Caspase-8 specific unnatural amino acid peptides Descriptor: (ACE)LET(1U8) PEPTIDE, Caspase-8, DITHIANE DIOL Authors: Wolan, D.W, Vickers, C.J, Gonzalez-Paez, G.E. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.123 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
4PRY	Caspase-8 specific unnatural amino acid peptides Descriptor: Ac-LETD-CHO, Caspase-3 Authors: Wolan, D.W, Gonzalez-Paez, G.E, Vickers, C.J. Deposit date: 2014-03-06 Release date: 2015-01-21 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Selective inhibition of initiator versus executioner caspases using small peptides containing unnatural amino acids. Acs Chem.Biol., 9, 2014
2J32	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2019-05-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
4QUG	Caspase-3 M61A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ACETATE ION, AZIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.917 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
2H5I	Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho Descriptor: Ac-DEV(ASJ), caspase-3, p12 subunit, ... Authors: Fang, B, Boross, P.I, Tozser, J, Weber, I.T. Deposit date: 2006-05-26 Release date: 2006-09-19 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition J.Mol.Biol., 360, 2006
2H48	Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Scheer, J.M, Wells, J.A, Romanowski, M.J. Deposit date: 2006-05-23 Release date: 2006-06-06 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.2 Å) Cite: A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
2H54	Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Scheer, J.M, Wells, J.A, Romanowski, M.J. Deposit date: 2006-05-25 Release date: 2008-03-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An allosteric circuit in caspase-1. J.Mol.Biol., 381, 2008
2HBQ	Crystal structure of wildtype human caspase-1 in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Scheer, J.M, Wells, J.A, Romanowski, M.J. Deposit date: 2006-06-14 Release date: 2006-06-27 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.8 Å) Cite: A Common Allosteric Site and Mechanism in Caspases Proc.Natl.Acad.Sci.USA, 103, 2006
2H4W	Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Scheer, J.M, Wells, J.A, Romanowski, M.J. Deposit date: 2006-05-25 Release date: 2008-03-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2 Å) Cite: An allosteric circuit in caspase-1. J.Mol.Biol., 381, 2008
2J30	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2019-05-08 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
4QU9	Caspase-3 F128A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.561 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUJ	Caspase-3 T140GV266H Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.498 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QTY	Caspase-3 E190A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-09 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.602 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QU5	Caspase-3 T140V Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.908 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUI	Caspase-3 F128AV266H Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ... Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.758 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
2J33	The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3 Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 Authors: Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. Deposit date: 2006-08-17 Release date: 2006-11-08 Last modified: 2019-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
4QUA	Caspase-3 Y195F Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.892 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
4QUB	Caspase-3 K137A Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 Authors: Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. Deposit date: 2014-07-10 Release date: 2014-11-05 Last modified: 2017-11-22 Method: X-RAY DIFFRACTION (1.689 Å) Cite: Modifying caspase-3 activity by altering allosteric networks. Biochemistry, 53, 2014
2FP3	Crystal structure of the Drosophila initiator caspase Dronc Descriptor: Caspase Nc Authors: Yan, N, Gu, L, Shi, Y. Deposit date: 2006-01-15 Release date: 2006-01-31 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structure and activation mechanism of the Drosophila initiator caspase dronc J.Biol.Chem., 281, 2006
2H4Y	Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK) Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide Authors: Scheer, J.M, Wells, J.A, Romanowski, M.J. Deposit date: 2006-05-25 Release date: 2008-03-11 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.9 Å) Cite: An allosteric circuit in caspase-1. J.Mol.Biol., 381, 2008
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

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