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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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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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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5V6Z
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5V6U
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5K20
| Caspase-7 S239E Phosphomimetic | Descriptor: | Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID | Authors: | Eron, S.J, Hardy, J.A. | Deposit date: | 2016-05-18 | Release date: | 2017-01-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding 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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7SEO
| Crystal Structure of Caspase-3 with Peptide Inhibitor Ac-VDV(DAB)D-CHO | Descriptor: | ACE-VAL-ASP-VAL-DAB-ASP, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | Fuller, J.L, Finzel, B.C. | Deposit date: | 2021-09-30 | Release date: | 2022-01-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.25 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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6NRY
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6NS7
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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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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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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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7USO
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7USQ
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7USP
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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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1CP3
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1F1J
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1F9E
| CASPASE-8 SPECIFICITY PROBED AT SUBSITE S4: CRYSTAL STRUCTURE OF THE CASPASE-8-Z-DEVD-CHO | Descriptor: | (PHQ)DEVD, CASPASE-8 ALPHA CHAIN, CASPASE-8 BETA CHAIN | Authors: | Blanchard, H, Donepudi, M, Tschopp, M, Kodandapani, L, Wu, J.C, Grutter, M.G. | Deposit date: | 2000-07-10 | Release date: | 2001-07-10 | Last modified: | 2018-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Caspase-8 specificity probed at subsite S(4): crystal structure of the caspase-8-Z-DEVD-cho complex. J.Mol.Biol., 302, 2000
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1GFW
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