4AF8
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![BU of 4af8 by Molmil](/molmil-images/mine/4af8) | The structural basis for metacaspase substrate specificity and activation | Descriptor: | CHLORIDE ION, METACASPASE MCA2, SODIUM ION | Authors: | McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C. | Deposit date: | 2012-01-18 | Release date: | 2012-05-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal Structure of a Trypanosoma Brucei Metacaspase. Proc.Natl.Acad.Sci.USA, 109, 2012
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4AFV
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![BU of 4afv by Molmil](/molmil-images/mine/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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6W8S
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![BU of 6w8s by Molmil](/molmil-images/mine/6w8s) | Crystal structure of metacaspase 4 from Arabidopsis | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.484 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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4AFP
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![BU of 4afp by Molmil](/molmil-images/mine/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
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![BU of 4afr by Molmil](/molmil-images/mine/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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6W8T
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![BU of 6w8t by Molmil](/molmil-images/mine/6w8t) | Crystal structure of metacaspase 4 from Arabidopsis (microcrystals treated with calcium) | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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8WRA
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![BU of 8wra by Molmil](/molmil-images/mine/8wra) | The Crystal Structure of CASP1 from Biortus | Descriptor: | 1,2-ETHANEDIOL, Caspase-1 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | Deposit date: | 2023-10-13 | Release date: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Crystal Structure of CASP1 from Biortus. To Be Published
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8A53
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![BU of 8a53 by Molmil](/molmil-images/mine/8a53) | Crystal structure of AtMCA-IIf C147A (metacaspase 9) from Arabidopsis thaliana | Descriptor: | Metacaspase-9, NITRATE ION | Authors: | Sabljic, I, Stael, S, Stahlberg, J, Bozhkov, P. | Deposit date: | 2022-06-14 | Release date: | 2023-05-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-function study of a Ca 2+ -independent metacaspase involved in lateral root emergence. Proc.Natl.Acad.Sci.USA, 120, 2023
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6W8R
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![BU of 6w8r by Molmil](/molmil-images/mine/6w8r) | Crystal structure of metacaspase 4 C139A from Arabidopsis | Descriptor: | Metacaspase-4, SULFATE ION | Authors: | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | Deposit date: | 2020-03-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Structural basis for Ca2+-dependent activation of a plant metacaspase. Nat Commun, 11, 2020
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1M72
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![BU of 1m72 by Molmil](/molmil-images/mine/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
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6KN1
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![BU of 6kn1 by Molmil](/molmil-images/mine/6kn1) | P20/P12 of caspase-11 mutant C254A | Descriptor: | Caspase-4 | Authors: | Ding, J, Sun, Q. | Deposit date: | 2019-08-02 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
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6KMT
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![BU of 6kmt by Molmil](/molmil-images/mine/6kmt) | P32 of caspase-11 mutant C254A | Descriptor: | Caspase-4 | Authors: | Ding, J, Sun, Q. | Deposit date: | 2019-08-01 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
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6KMU
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![BU of 6kmu by Molmil](/molmil-images/mine/6kmu) | P22/P10 complex of caspase-11 mutant C254A | Descriptor: | Caspase-4 | Authors: | Ding, J, Sun, Q. | Deposit date: | 2019-08-01 | Release date: | 2020-03-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis. Cell, 180, 2020
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1NMS
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![BU of 1nms by Molmil](/molmil-images/mine/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
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1NME
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![BU of 1nme by Molmil](/molmil-images/mine/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
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1NMQ
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![BU of 1nmq by Molmil](/molmil-images/mine/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
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3KJF
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![BU of 3kjf by Molmil](/molmil-images/mine/3kjf) | Caspase 3 Bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S,10aS)-2-{(2S)-4-carboxy-2-[(phenylacetyl)amino]butyl}-1,3-dioxo-2,3,5,7,8,9,10,10a-octahydro-1H-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-3 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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3KJN
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![BU of 3kjn by Molmil](/molmil-images/mine/3kjn) | Caspase 8 bound to a covalent inhibitor | Descriptor: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Caspase-8 | Authors: | Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G. | Deposit date: | 2009-11-03 | Release date: | 2010-08-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors. Biochim.Biophys.Acta, 1804, 2010
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2QLJ
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![BU of 2qlj by Molmil](/molmil-images/mine/2qlj) | Crystal Structure of Caspase-7 with Inhibitor AC-WEHD-CHO | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-WEHD-CHO, ... | Authors: | Agniswamy, J, Fang, B, Weber, I. | Deposit date: | 2007-07-12 | Release date: | 2007-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. Febs J., 274, 2007
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2QL5
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![BU of 2ql5 by Molmil](/molmil-images/mine/2ql5) | Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO | Descriptor: | CITRIC ACID, Caspase-7, inhibitor, ... | Authors: | Agniswamy, J, Fang, B, Weber, I. | Deposit date: | 2007-07-12 | Release date: | 2007-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. Febs J., 274, 2007
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2QL9
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![BU of 2ql9 by Molmil](/molmil-images/mine/2ql9) | Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO | Descriptor: | CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ... | Authors: | Agniswamy, J, Fang, B, Weber, I. | Deposit date: | 2007-07-12 | Release date: | 2007-08-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis. Febs J., 274, 2007
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2P2C
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![BU of 2p2c by Molmil](/molmil-images/mine/2p2c) | Inhibition of caspase-2 by a designed ankyrin repeat protein (DARPin) | Descriptor: | Caspase-2 | Authors: | Roschitzki Voser, H, Briand, C, Capitani, G, Gruetter, M.G. | Deposit date: | 2007-03-07 | Release date: | 2007-05-22 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.24 Å) | Cite: | Inhibition of Caspase-2 by a Designed Ankyrin Repeat Protein: Specificity, Structure, and Inhibition Mechanism. Structure, 15, 2007
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2XYP
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![BU of 2xyp by Molmil](/molmil-images/mine/2xyp) | Caspase-3:CAS26049945 | Descriptor: | CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE | Authors: | Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. | Deposit date: | 2010-11-18 | Release date: | 2011-08-17 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety. Acta Crystallogr.,Sect.F, 67, 2011
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2XYG
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![BU of 2xyg by Molmil](/molmil-images/mine/2xyg) | Caspase-3:CAS329306 | Descriptor: | CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide | Authors: | Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R. | Deposit date: | 2010-11-17 | Release date: | 2011-08-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety. Acta Crystallogr.,Sect.F, 67, 2011
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2XZD
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![BU of 2xzd by Molmil](/molmil-images/mine/2xzd) | Caspase-3 in Complex with an Inhibitory DARPin-3.4 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ... | Authors: | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | Deposit date: | 2010-11-24 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors. Structure, 21, 2013
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