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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1CP3
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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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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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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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6PX9
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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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8DGZ
 | | Caspase-7 bound to substrate mimic and allosteric inhibitor | | Descriptor: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 | | Authors: | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | | Deposit date: | 2022-06-24 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
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8DJ3
 | | Caspase-7 bound to novel allosteric inhibitor | | Descriptor: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7 | | Authors: | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | | Deposit date: | 2022-06-29 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
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3BIJ
 | | Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13 | | Descriptor: | Uncharacterized protein GSU0716 | | Authors: | Forouhar, F, Neely, H, Su, M, Seetharaman, J, Benach, J, Conover, K, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-11 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of protein GSU0716 from Geobacter sulfurreducens.
To be Published
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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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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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5V6Z
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5V6U
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2AR9
 | | Crystal structure of a dimeric caspase-9 | | Descriptor: | Caspase-9, D-MALATE | | Authors: | Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y. | | Deposit date: | 2005-08-19 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
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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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3D6F
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2C2Z
 | | Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL) -14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL] -11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-3,6,9,12-TETRAOXO -1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ... | | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Powers, J.C, Gruetter, M.G. | | Deposit date: | 2005-10-02 | | Release date: | 2006-09-20 | | Last modified: | 2017-02-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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7USQ
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7USO
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7USP
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6DEU
 | | Human caspase-6 A109T | | Descriptor: | Caspase-6 | | Authors: | Tubeleviciute-Aydin, A, Beautrait, A, Lynham, J, Sharma, G, Gorelik, A, Deny, L.J, Soya, N, Lukacs, G.L, Nagar, B, Marinier, A, LeBlanc, A.C. | | Deposit date: | 2018-05-13 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Identification of Allosteric Inhibitors against Active Caspase-6.
Sci Rep, 9, 2019
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2C1E
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ... | | Authors: | Grutter, M.G. | | Deposit date: | 2005-09-14 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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2C2O
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID, ... | | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. | | Deposit date: | 2005-09-29 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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2C2M
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | Descriptor: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14 -PENTAAZAHEXADECAN-16-OIC ACID, ... | | Authors: | Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C. | | Deposit date: | 2005-09-29 | | Release date: | 2006-09-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
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