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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
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
1M72	Crystal Structure of Caspase-1 from Spodoptera frugiperda Descriptor: 1,2-ETHANEDIOL, Ace-Asp-Glu-Val-Asp-chloromethylketone, Caspase-1 Authors: Forsyth, C.M, Lemongello, D, Friesen, P.D, Fisher, A.J. Deposit date: 2002-07-18 Release date: 2004-01-20 Last modified: 2013-02-27 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Crystal structure of an invertebrate caspase. J.Biol.Chem., 279, 2004
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
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
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
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
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
8EG6	huCaspase-6 in complex with inhibitor 2a Descriptor: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... Authors: Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. Deposit date: 2022-09-11 Release date: 2023-05-10 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
8EG5	huCaspase-6 in complex with inhibitor 3a Descriptor: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... Authors: Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. Deposit date: 2022-09-11 Release date: 2023-05-10 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
8F78	Compound 1 bound to procaspase-6 Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-18 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F97	Compound 5 bound to procaspase-6 Descriptor: 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.32 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F99	Compound 10 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.86 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F9A	Compound 11 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.55 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F9B	Compound 19 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F9C	Compound 20 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F9D	Compound 21 bound to procaspase-6 Descriptor: 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8FBV	Compound 7 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-30 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.86 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F98	Compound 8 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
8F96	Compound 3 bound to procaspase-6 Descriptor: 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 Authors: Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. Deposit date: 2022-11-23 Release date: 2023-12-13 Last modified: 2024-06-26 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
7QP1	Crystal structure of metacaspase from candida glabrata with calcium Descriptor: CALCIUM ION, CHLORIDE ION, Metacaspase-1 Authors: Conchou, L, Ballut, L, Violot, S, Aghajari, N. Deposit date: 2021-12-30 Release date: 2023-01-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3 Å) Cite: Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium. Commun Biol, 5, 2022
7QP0	Crystal structure of metacaspase from candida glabrata with magnesium Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Metacaspase-1 Authors: Conchou, L, Ballut, L, Violot, S, Aghajari, N. Deposit date: 2021-12-30 Release date: 2023-01-11 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium. Commun Biol, 5, 2022
7RND	Crystal structure of caspase-3 with inhibitor Ac-VDPVD-CHO Descriptor: Ac-VDPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RN8	Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO Descriptor: Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
7RNE	Crystal structure of caspase-3 with inhibitor Ac-YKPVD-CHO Descriptor: Ac-YKPVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 Authors: McCue, W, Finzel, B.C. Deposit date: 2021-07-29 Release date: 2022-01-05 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.73 Å) Cite: Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022

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