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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: 2012-12-12 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure and mechanism of interleukin-1 beta converting enzyme. Nature, 370, 1994
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
1CP3	CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC Descriptor: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN Authors: Mittl, P.R.E, Dimarco, S, Gruetter, M.G. Deposit date: 1996-12-12 Release date: 1997-12-24 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone. J.Biol.Chem., 272, 1997
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: 2024-04-03 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
1BMQ	CRYSTAL STRUCTURE OF THE COMPLEX OF INTERLEUKIN-1BETA CONVERTING ENZYME (ICE) WITH A PEPTIDE BASED INHIBITOR, (3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE Descriptor: (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE) Authors: Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y. Deposit date: 1998-07-24 Release date: 1998-07-29 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Peptide based interleukin-1 beta converting enzyme (ICE) inhibitors: synthesis, structure activity relationships and crystallographic study of the ICE-inhibitor complex. Chem.Pharm.Bull., 47, 1999
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
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
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
1I3O	CRYSTAL STRUCTURE OF THE COMPLEX OF XIAP-BIR2 AND CASPASE 3 Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE 3, ZINC ION Authors: Riedl, S.J, Renatus, M, Schwarzenbacher, R, Zhou, Q, Sun, C, Fesik, S.W, Liddington, R.C, Salvesen, G.S. Deposit date: 2001-02-15 Release date: 2001-03-21 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural basis for the inhibition of caspase-3 by XIAP. Cell(Cambridge,Mass.), 104, 2001
1I4O	CRYSTAL STRUCTURE OF THE XIAP/CASPASE-7 COMPLEX Descriptor: BACULOVIRAL IAP REPEAT-CONTAINING PROTEIN 4, CASPASE-7 Authors: Huang, Y, Park, Y.C, Rich, R.L, Segal, D, Myszka, D.G, Wu, H. Deposit date: 2001-02-22 Release date: 2001-03-21 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Structural basis of caspase inhibition by XIAP: differential roles of the linker versus the BIR domain. Cell(Cambridge,Mass.), 104, 2001
1I4E	CRYSTAL STRUCTURE OF THE CASPASE-8/P35 COMPLEX Descriptor: Caspase-8, Early 35 kDa protein Authors: Xu, G, Cirilli, M, Huang, Y, Rich, R.L, Myszka, D.G, Wu, H. Deposit date: 2001-02-20 Release date: 2001-03-28 Last modified: 2013-09-25 Method: X-RAY DIFFRACTION (3 Å) Cite: Covalent inhibition revealed by the crystal structure of the caspase-8/p35 complex. Nature, 410, 2001
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
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
1K86	Crystal structure of caspase-7 Descriptor: caspase-7 Authors: Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. Deposit date: 2001-10-23 Release date: 2001-11-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding Cell(Cambridge,Mass.), 107, 2001
1K88	Crystal structure of procaspase-7 Descriptor: procaspase-7 Authors: Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y. Deposit date: 2001-10-23 Release date: 2001-11-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding Cell(Cambridge,Mass.), 107, 2001
1JXQ	Structure of cleaved, CARD domain deleted Caspase-9 Descriptor: Caspase-9, benzoxycarbonyl-Val-Ala-Asp-fluoromethyl ketone Inhibitor Authors: Renatus, M, Stennicke, H.R, Scott, F.L, Liddington, R.C, Salvesen, G.S. Deposit date: 2001-09-08 Release date: 2001-12-12 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Dimer formation drives the activation of the cell death protease caspase 9. Proc.Natl.Acad.Sci.USA, 98, 2001
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
1KMC	Crystal Structure of the Caspase-7 / XIAP-BIR2 Complex Descriptor: Caspase-7, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN Authors: Riedl, S.J, Salvesen, G.S, Bode, W. Deposit date: 2001-12-14 Release date: 2002-01-16 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Crystal Structure of the Caspase-7 / XIAP-BIR2 Complex TO BE PUBLISHED
1I51	CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP Descriptor: CASPASE-7 SUBUNIT P11, CASPASE-7 SUBUNIT P20, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN Authors: Chai, J, Shi, Y. Deposit date: 2001-02-23 Release date: 2002-02-23 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Structural basis of caspase-7 inhibition by XIAP. Cell(Cambridge,Mass.), 104, 2001
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
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
1NW9	STRUCTURE OF CASPASE-9 IN AN INHIBITORY COMPLEX WITH XIAP-BIR3 Descriptor: Baculoviral IAP repeat-containing protein 4, ZINC ION, caspase 9, ... Authors: Shiozaki, E.N, Chai, J, Rigotti, D.J, Riedl, S.J, Li, P, Srinivasula, S.M, Alnemri, E.S, Fairman, R, Shi, Y. Deposit date: 2003-02-05 Release date: 2003-03-25 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Mechanism of XIAP-Mediated Inhibition of Caspase-9 Mol.Cell, 11, 2003
1PYO	Crystal Structure of Human Caspase-2 in Complex with Acetyl-Leu-Asp-Glu-Ser-Asp-cho Descriptor: ACETYL-LEU-ASP-GLU-SER-ASJ, Caspase-2 Authors: Schweizer, A, Briand, C, Grutter, M.G. Deposit date: 2003-07-09 Release date: 2003-08-26 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Crystal structure of caspase-2, apical initiator of the intrinsic apoptotic pathway. J.Biol.Chem., 278, 2003
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

 

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