6PX9
 
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1CP3
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7JL7
 | | Zebrafish Caspase N213T | | 分子名称: | ASP-GLU-VAL-ASP peptide, Caspase 3, apoptosis-related cysteine protease a | | 著者 | Clark, A.C, Swartz, P.D. | | 登録日 | 2020-07-29 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Remodeling hydrogen bond interactions results in relaxed specificity of Caspase-3.
Biosci.Rep., 41, 2021
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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 | | 分子名称: | (3S)-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-4-OXOBUTANAMIDE, PROTEIN (INTERLEUKIN-1 BETA CONVERTASE) | | 著者 | Okamoto, Y, Anan, H, Nakai, E, Morihira, K, Yonetoku, Y, Kurihara, H, Katayama, N, Sakashita, H, Terai, Y, Takeuchi, M, Shibanuma, T, Isomura, Y. | | 登録日 | 1998-07-24 | | 公開日 | 1998-07-29 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | 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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4QUB
 | | Caspase-3 K137A | | 分子名称: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3 | | 著者 | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | 登録日 | 2014-07-10 | | 公開日 | 2014-11-05 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.689 Å) | | 主引用文献 | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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4QUA
 | | Caspase-3 Y195F | | 分子名称: | ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3 | | 著者 | Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C. | | 登録日 | 2014-07-10 | | 公開日 | 2014-11-05 | | 最終更新日 | 2017-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.892 Å) | | 主引用文献 | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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8WRA
 | | The Crystal Structure of CASP1 from Biortus | | 分子名称: | 1,2-ETHANEDIOL, Caspase-1 | | 著者 | Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S. | | 登録日 | 2023-10-13 | | 公開日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | The Crystal Structure of CASP1 from Biortus.
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) | | 分子名称: | (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 | | 著者 | 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. | | 登録日 | 2017-01-09 | | 公開日 | 2018-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Playing against the odds: scaffold hopping from 3D-fragments
To Be Published
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5V6Z
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5V6U
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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) | | 分子名称: | (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 | | 著者 | 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. | | 登録日 | 2016-12-12 | | 公開日 | 2017-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | 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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6NRY
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6NS7
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8A53
 | | Crystal structure of AtMCA-IIf C147A (metacaspase 9) from Arabidopsis thaliana | | 分子名称: | Metacaspase-9, NITRATE ION | | 著者 | Sabljic, I, Stael, S, Stahlberg, J, Bozhkov, P. | | 登録日 | 2022-06-14 | | 公開日 | 2023-05-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | 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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6F6R
 | | Crystal structure of human Caspase-1 with N-{3-[1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl}-4-(quinoxalin-2-ylamino)-benzamide | | 分子名称: | (3~{S})-3-[[(2~{R})-2-[3-methyl-2,6-bis(oxidanylidene)-5-[[4-(quinoxalin-2-ylamino)phenyl]carbonylamino]pyrimidin-1-yl]propanoyl]amino]-4-oxidanyl-butanoic acid, Caspase-1, SULFATE ION | | 著者 | Fournier, J.F, Clary, L, Chambon, S, Dumais, L, Harris, C.S, Millois-Barbuis, C, Pierre, R, Talano, S, Thoreau, E, Aubert, J, Aurelly, M, Bouix-Peter, C, Brethon, A, Chantalat, L, Christin, O, Comino, C, El-Bazbouz, G, Ghilini, A.L, Isabet, T, Lardy, C, Luzy, A.P, Mathieu, C, Mebrouk, K, Orfila, D, Pascau, J, Reverse, K, Roche, D, Rodeschini, V, Hennequin, L.F. | | 登録日 | 2017-12-06 | | 公開日 | 2018-05-02 | | 最終更新日 | 2018-05-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Rational Drug Design of Topically Administered Caspase 1 Inhibitors for the Treatment of Inflammatory Acne.
J. Med. Chem., 61, 2018
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6PZP
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8DGZ
 | | Caspase-7 bound to substrate mimic and allosteric inhibitor | | 分子名称: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Ac-Asp-Glu-Val-Asp-Aldehyde, Caspase-7 | | 著者 | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | | 登録日 | 2022-06-24 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | 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 | | 分子名称: | 2-[(2-{[(3s,5s,7s)-adamantan-1-yl]sulfamoyl}phenyl)sulfanyl]benzoic acid, Caspase-7 | | 著者 | Propp, J, Kalenkiewicz, A, Kathryn, F.H, Spies, M.A. | | 登録日 | 2022-06-29 | | 公開日 | 2023-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Allosteric Tuning of Caspase-7: Establishing the Nexus of Structure and Catalytic Power.
Chemistry, 29, 2023
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6W8S
 | | Crystal structure of metacaspase 4 from Arabidopsis | | 分子名称: | Metacaspase-4, SULFATE ION | | 著者 | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | 登録日 | 2020-03-21 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.484 Å) | | 主引用文献 | 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) | | 分子名称: | Metacaspase-4, SULFATE ION | | 著者 | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | 登録日 | 2020-03-21 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | 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 | | 分子名称: | Metacaspase-4, SULFATE ION | | 著者 | Zhu, P, Yu, X.H, Wang, C, Zhang, Q, Liu, W, McSweeney, S, Shanklin, J, Lam, E, Liu, Q. | | 登録日 | 2020-03-21 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | | 主引用文献 | Structural basis for Ca2+-dependent activation of a plant metacaspase.
Nat Commun, 11, 2020
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7QP0
 | | Crystal structure of metacaspase from candida glabrata with magnesium | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, Metacaspase-1 | | 著者 | Conchou, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2021-12-30 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
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7QP1
 | | Crystal structure of metacaspase from candida glabrata with calcium | | 分子名称: | CALCIUM ION, CHLORIDE ION, Metacaspase-1 | | 著者 | Conchou, L, Ballut, L, Violot, S, Aghajari, N. | | 登録日 | 2021-12-30 | | 公開日 | 2023-01-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural and molecular determinants of Candida glabrata metacaspase maturation and activation by calcium.
Commun Biol, 5, 2022
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6KN1
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6KMT
 | | P32 of caspase-11 mutant C254A | | 分子名称: | Caspase-4 | | 著者 | Ding, J, Sun, Q. | | 登録日 | 2019-08-01 | | 公開日 | 2020-03-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
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