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: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
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2H54
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3V6M
| Inhibition of caspase-6 activity by single mutation outside the active site | Descriptor: | Caspase-6 | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | Deposit date: | 2011-12-20 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.692 Å) | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays J.Biol.Chem., 287, 2012
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4AFV
| THE STRUCTURE OF METACASPASE 2 FROM T. BRUCEI DETERMINED IN THE PRESENCE OF CALCIUM CHLORIDE | Descriptor: | METACASPASE MCA2 | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | Deposit date: | 2012-01-23 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4AFP
| The structure of metacaspase 2 from T. brucei determined in the presence of Samarium | Descriptor: | METACASPASE MCA2, SAMARIUM (III) ION | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | Deposit date: | 2012-01-23 | Release date: | 2012-05-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4AFR
| THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI | Descriptor: | METACASPASE | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | Deposit date: | 2012-01-23 | Release date: | 2012-05-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
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3V6L
| Crystal Structure of caspase-6 inactivation mutation | Descriptor: | Caspase-6 | Authors: | Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D. | Deposit date: | 2011-12-20 | Release date: | 2012-03-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays J.Biol.Chem., 287, 2012
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3V4O
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2K7Z
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5I9T
| Caspase 3 V266C | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-20 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAR
| Caspase 3 V266W | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, Caspase-3, ... | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAK
| Caspase 3 V266S | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAN
| Caspase 3 V266N | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3, LEU-SER-SER, ... | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IBR
| Caspase 3 V266K | Descriptor: | ACE-ASP-GLU-VAL-ASK, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-22 | Release date: | 2016-10-26 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAE
| Caspase 3 V266F | Descriptor: | ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ... | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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5IAG
| Caspase 3 V266Q | Descriptor: | ACE-ASP-GLU-VAL-ASK, ASP-ASP-ASP-MET, Caspase-3 | Authors: | Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C. | Deposit date: | 2016-02-21 | Release date: | 2016-10-26 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection. Proc.Natl.Acad.Sci.USA, 113, 2016
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3R6L
| Caspase-2 T380A bound with Ac-VDVAD-CHO | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-21 | Release date: | 2011-07-27 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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3R7B
| Caspase-2 bound to one copy of Ac-DVAD-CHO | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-22 | Release date: | 2011-07-27 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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5JFT
| Zebra Fish Caspase-3 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ... | Authors: | Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C. | Deposit date: | 2016-04-19 | Release date: | 2016-10-26 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish. Protein Sci., 25, 2016
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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
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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
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3R5K
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3R6G
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3R7S
| Crystal Structure of Apo Caspase2 | Descriptor: | Caspase-2 subunit p12, Caspase-2 subunit p18 | Authors: | Tang, Y, Wells, J, Arkin, M. | Deposit date: | 2011-03-22 | Release date: | 2011-07-27 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis. J.Biol.Chem., 286, 2011
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3RJM
| CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c | Descriptor: | Caspase-2, Peptide inhibitor (ACE)VDV(3PX)D-CHO | Authors: | Abendroth, J, Lorimer, D, Stewart, L, Maillard, M, Kiselyov, A.S. | Deposit date: | 2011-04-15 | Release date: | 2011-09-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Exploiting differences in caspase-2 and -3 S(2) subsites for selectivity: Structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg.Med.Chem., 19, 2011
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