1JXQ
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![BU of 1jxq by Molmil](/molmil-images/mine/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
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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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6CL0
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![BU of 6cl0 by Molmil](/molmil-images/mine/6cl0) | |
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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7JL7
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![BU of 7jl7 by Molmil](/molmil-images/mine/7jl7) | Zebrafish Caspase N213T | Descriptor: | ASP-GLU-VAL-ASP peptide, Caspase 3, apoptosis-related cysteine protease a | Authors: | Clark, A.C, Swartz, P.D. | Deposit date: | 2020-07-29 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Remodeling hydrogen bond interactions results in relaxed specificity of Caspase-3. Biosci.Rep., 41, 2021
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8FBV
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![BU of 8fbv by Molmil](/molmil-images/mine/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
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3E4C
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![BU of 3e4c by Molmil](/molmil-images/mine/3e4c) | Procaspase-1 zymogen domain crystal structure | Descriptor: | Caspase-1, MAGNESIUM ION | Authors: | Elliott, J.M, Rouge, L, Wiesmann, C, Scheer, J.M. | Deposit date: | 2008-08-11 | Release date: | 2008-12-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of procaspase-1 zymogen domain reveals insight into inflammatory caspase autoactivation J.Biol.Chem., 284, 2009
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5V6Z
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![BU of 5v6z by Molmil](/molmil-images/mine/5v6z) | |
5V6U
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6PZP
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![BU of 6pzp by Molmil](/molmil-images/mine/6pzp) | Crystal structure of caspase-1 in complex with VX-765 | Descriptor: | Caspase-1, N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide | Authors: | Yang, J, Liu, Z, Xiao, T.S. | Deposit date: | 2019-08-01 | Release date: | 2020-08-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystal structure of caspase-1 in complex with VX-765 To Be Published
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2J31
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![BU of 2j31 by Molmil](/molmil-images/mine/2j31) | The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3 | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 | Authors: | Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2006-08-17 | Release date: | 2006-11-08 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
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3EDQ
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![BU of 3edq by Molmil](/molmil-images/mine/3edq) | Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO | Descriptor: | AC-LDESD-CHO peptide, Caspase-3 | Authors: | Fu, G. | Deposit date: | 2008-09-03 | Release date: | 2008-10-28 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Structural basis for executioner caspase recognition of P5 position in substrates. Apoptosis, 13, 2008
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2J32
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![BU of 2j32 by Molmil](/molmil-images/mine/2j32) | The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3 | Descriptor: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3 | Authors: | Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C. | Deposit date: | 2006-08-17 | Release date: | 2006-11-08 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3. Biochemistry, 45, 2006
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6NRY
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![BU of 6nry by Molmil](/molmil-images/mine/6nry) | |
6NS7
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![BU of 6ns7 by Molmil](/molmil-images/mine/6ns7) | |
6PX9
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![BU of 6px9 by Molmil](/molmil-images/mine/6px9) | |
5MTK
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![BU of 5mtk by Molmil](/molmil-images/mine/5mtk) | Crystal structure of human Caspase-1 with (3S,6S,10aS)-N-((2S,3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-6-(isoquinoline-1-carboxamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide (PGE-3935199) | Descriptor: | (3~{S})-3-[[(3~{S},6~{S},10~{a}~{S})-6-(isoquinolin-1-ylcarbonylamino)-5-oxidanylidene-2,3,6,7,8,9,10,10~{a}-octahydro-1~{H}-pyrrolo[1,2-a]azocin-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2017-01-09 | Release date: | 2018-02-28 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Playing against the odds: scaffold hopping from 3D-fragments To Be Published
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1CP3
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5MMV
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![BU of 5mmv by Molmil](/molmil-images/mine/5mmv) | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) | Descriptor: | (3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid, Caspase-1 | Authors: | Brethon, A, Chantalat, L, Christin, O, Clary, L, Fournier, J.F, Gastreich, M, Harris, C, Pascau, J, Isabet, T, Rodeschin, V, Thoreau, E, Roche, D. | Deposit date: | 2016-12-12 | Release date: | 2017-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of human Caspase-1 with 2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide (Compound 1) To Be Published
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1BMQ
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![BU of 1bmq by Molmil](/molmil-images/mine/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
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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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7USQ
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7USO
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![BU of 7uso by Molmil](/molmil-images/mine/7uso) | |
7USP
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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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