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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
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
4EJF	Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization Descriptor: Caspase-6, PHOSPHATE ION, phage-derived peptide 419 Authors: Murray, J.M. Deposit date: 2012-04-06 Release date: 2012-06-20 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.6465 Å) Cite: Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization. Nat.Chem.Biol., 8, 2012
4F6P	Crystal structure of the yeast metacaspase Yca1 C276A mutant Descriptor: 1,1-diphenylethanol, Metacaspase-1 Authors: Wong, A.H, Yan, C.Y, Shi, Y.G. Deposit date: 2012-05-15 Release date: 2013-03-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.619 Å) Cite: Crystal structure of the metacaspase Yca1 To be Published
4FDL	Crystal structure of Caspase-7 Descriptor: Caspase-7 Authors: Kabaleeswaran, V. Deposit date: 2012-05-28 Release date: 2012-08-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.801 Å) Cite: A class of allosteric caspase inhibitors identified by high-throughput screening. Mol.Cell, 47, 2012
4FEA	Crystal structure of CASPASE-7 in Complex with allosteric inhibitor Descriptor: Caspase-7, chloro{methyl hydrogenato(3-)-kappa~2~N,S [pyridin-2-yl(pyridin-2(1H)-ylidene-kappaN)methyl]carbonodithiohydrazonate}copper Authors: Kabaleeswaran, V. Deposit date: 2012-05-29 Release date: 2012-08-01 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3.79 Å) Cite: A class of allosteric caspase inhibitors identified by high-throughput screening. Mol.Cell, 47, 2012
4F6O	Crystal structure of the yeast metacaspase Yca1 Descriptor: 1,1-diphenylethanol, Metacaspase-1 Authors: Wong, A.H, Yan, C.Y, Shi, Y.G. Deposit date: 2012-05-15 Release date: 2012-07-11 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (1.681 Å) Cite: Crystal structure of the yeast metacaspase Yca1. J.Biol.Chem., 287, 2012
4FXO	Zinc-mediated allosteric inhibiton of caspase-6 Descriptor: Caspase-6, ZINC ION Authors: Velazquez-Delgado, E.M, Hardy, J.A. Deposit date: 2012-07-03 Release date: 2012-08-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.85 Å) Cite: Zinc-mediated Allosteric Inhibition of Caspase-6. J.Biol.Chem., 287, 2012
4HQR	Crystal Structure of mutant form of Caspase-7 Descriptor: Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 Authors: Lee, Y, Kang, H.J, Bae, K.-H, Kim, S.J, Chung, S.J. Deposit date: 2012-10-26 Release date: 2013-09-11 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural asymmetry of procaspase-7 bound to a specific inhibitor Acta Crystallogr.,Sect.D, 69, 2013
4HQ0	Crystal Structure of mutant form of Caspase-7 Descriptor: Caspase-7 Authors: Lee, Y, Kang, H.J, Bae, K.-H, Kim, S.J, Chung, S.J. Deposit date: 2012-10-25 Release date: 2013-09-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural asymmetry of procaspase-7 bound to a specific inhibitor Acta Crystallogr.,Sect.D, 69, 2013
4HVA	Mechanistic and Structural Understanding of Uncompetitive Inhibitors of Caspase-6 Descriptor: Caspase-6, N-[(2R)-1-(3-cyanophenyl)-3-hydroxypropan-2-yl]-5-(3,4-dimethoxyphenyl)furan-3-carboxamide, VEID Inhibitor Authors: Murray, J.M, Steffek, M. Deposit date: 2012-11-05 Release date: 2013-03-20 Method: X-RAY DIFFRACTION (2.074 Å) Cite: Mechanistic and structural understanding of uncompetitive inhibitors of caspase-6. Plos One, 7, 2012
4IYR	Crystal structure of full-length caspase-6 zymogen Descriptor: Caspase-6 Authors: Cao, Q, Wang, X.-J, Li, L.-F, Su, X.-D. Deposit date: 2013-01-29 Release date: 2014-01-15 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.697 Å) Cite: The regulatory mechanism of the caspase 6 pro-domain revealed by crystal structure and biochemical assays. Acta Crystallogr.,Sect.D, 70, 2014
4JR2	Human procaspase-7/caspase-7 heterodimer bound to Ac-DEVD-CMK Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7 Authors: Thomsen, N.D, Wells, J.A. Deposit date: 2013-03-20 Release date: 2013-05-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
4JQY	Human procaspase-3, crystal form 1 Descriptor: Procaspase-3 Authors: Thomsen, N.D, Wells, J.A. Deposit date: 2013-03-20 Release date: 2013-05-08 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.495 Å) Cite: Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
4JR1	Human procaspase-7 bound to Ac-DEVD-CMK Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-7 Authors: Thomsen, N.D, Wells, J.A. Deposit date: 2013-03-20 Release date: 2013-05-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.149 Å) Cite: Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
4JJE	Caspase-3 specific unnatural amino acid peptides Descriptor: Caspase inhibitor, Caspase-3 Authors: Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2013-03-07 Release date: 2013-06-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.481 Å) Cite: Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids. Acs Chem.Biol., 8, 2013
4JJ7	Caspase-3 specific unnatural amino acid-based peptides Descriptor: Caspase inhibitor, Caspase-8, DITHIANE DIOL Authors: Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2013-03-07 Release date: 2013-06-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.178 Å) Cite: Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids. Acs Chem.Biol., 8, 2013
4JQZ	Human procaspase-3, crystal form 2 Descriptor: Procaspase-3 Authors: Thomsen, N.D, Wells, J.A. Deposit date: 2013-03-20 Release date: 2013-05-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.889 Å) Cite: Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
4JB8	Caspase-7 in Complex with DARPin C7_16 Descriptor: Caspase-7 subunit p11, Caspase-7 subunit p20, DARPin C7_16 Authors: Fluetsch, A, Seeger, M.A, Gruetter, M.G. Deposit date: 2013-02-19 Release date: 2013-08-21 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Design, construction, and characterization of a second-generation DARPin library with reduced hydrophobicity. Protein Sci., 22, 2013
4JJ8	Caspase-3 specific unnatural amino acid peptides Descriptor: Caspase Inhibitor, Caspase-7 Authors: Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W. Deposit date: 2013-03-07 Release date: 2013-06-12 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.937 Å) Cite: Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids. Acs Chem.Biol., 8, 2013
4JR0	Human procaspase-3 bound to Ac-DEVD-CMK Descriptor: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3 Authors: Thomsen, N.D, Wells, J.A. Deposit date: 2013-03-20 Release date: 2013-05-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.796 Å) Cite: Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation. Proc.Natl.Acad.Sci.USA, 110, 2013
1NMS	Caspase-3 tethered to irreversible inhibitor Descriptor: 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 Authors: Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.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 (1.7 Å) Cite: In situ assembly of enzyme inhibitors using extended tethering. Nat.Biotechnol., 21, 2003
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
1PAU	Crystal structure of the complex of apopain with the tetrapeptide aldehyde inhibitor AC-DEVD-CHO Descriptor: ACE-ASP-GLU-VAL-ASJ, APOPAIN Authors: Rotonda, J, Becker, J.W. Deposit date: 1996-06-06 Release date: 1997-07-07 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The three-dimensional structure of apopain/CPP32, a key mediator of apoptosis. Nat.Struct.Biol., 3, 1996

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