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8A53
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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
最終更新日2024-05-01
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
7JL7
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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
2AR9
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Crystal structure of a dimeric caspase-9
分子名称: Caspase-9, D-MALATE
著者Chao, Y, Shiozaki, E.N, Srinivassula, S.M, Rigotti, D.J, Fairman, R, Shi, Y.
登録日2005-08-19
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Engineering a Dimeric Caspase-9: A Re-Evaluation of the Induced Proximity Model for Caspase Activation
PLOS BIOL., 3, 2005
6PZP
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BU of 6pzp by Molmil
Crystal structure of caspase-1 in complex with VX-765
分子名称: Caspase-1, N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
著者Yang, J, Liu, Z, Xiao, T.S.
登録日2019-08-01
公開日2020-08-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structure of caspase-1 in complex with VX-765
To Be Published
6PX9
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BU of 6px9 by Molmil
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
分子名称: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
著者Xu, J.H, Wolan, D.W.
登録日2019-07-25
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020
1BMQ
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BU of 1bmq by Molmil
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
8WRA
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BU of 8wra by Molmil
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
1CP3
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CRYSTAL STRUCTURE OF THE COMPLEX OF APOPAIN WITH THE TETRAPEPTIDE INHIBITOR ACE-DVAD-FMC
分子名称: ACETYL-ASP-VAL-ALA-ASP-FLUOROMETHYLKETONE, APOPAIN
著者Mittl, P.R.E, Dimarco, S, Gruetter, M.G.
登録日1996-12-12
公開日1997-12-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of recombinant human CPP32 in complex with the tetrapeptide acetyl-Asp-Val-Ala-Asp fluoromethyl ketone.
J.Biol.Chem., 272, 1997
5V6Z
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Crystal structure of human caspase-7 soaked with allosteric inhibitor 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
分子名称: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, Caspase-7
著者Vance, N.R, Gakhar, L, Spies, M.A.
登録日2017-03-17
公開日2018-03-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of human caspase-7 soaked with allosteric inhibitor
To Be Published
5V6U
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Crystal structure of human caspase-7 soaked with allosteric inhibitor 2-[(2-acetylphenyl)sulfanyl]benzoic acid
分子名称: 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Caspase-7
著者Vance, N.R, Gakhar, L, Spies, M.A.
登録日2017-03-17
公開日2017-10-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Allosteric Tuning of Caspase-7: A Fragment-Based Drug Discovery Approach.
Angew. Chem. Int. Ed. Engl., 56, 2017
5JFT
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BU of 5jft by Molmil
Zebra Fish Caspase-3
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASK, ...
著者Tucker, M.B, MacKenzie, S.H, Maciag, J.J, Dirscherl, H, Swartz, P.D, Yoder, J.A, Hamilton, P.T, Clark, A.C.
登録日2016-04-19
公開日2016-10-26
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Phage display and structural studies reveal plasticity in substrate specificity of caspase-3a from zebrafish.
Protein Sci., 25, 2016
5K20
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BU of 5k20 by Molmil
Caspase-7 S239E Phosphomimetic
分子名称: Caspase-7 large subunit, Caspase-7 small subunit, FORMIC ACID
著者Eron, S.J, Hardy, J.A.
登録日2016-05-18
公開日2017-01-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PAK2 Phosphorylation Inhibits Caspase-7 by Two Divergent Mechanisms: Slowing Activation and Blocking Substrate Binding
To Be Published
6W8S
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BU of 6w8s by Molmil
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
5MTK
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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
6W8T
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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
5MMV
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BU of 5mmv by Molmil
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
6W8R
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BU of 6w8r by Molmil
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
2J31
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BU of 2j31 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J32
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BU of 2j32 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of(Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J30
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BU of 2j30 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2J33
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BU of 2j33 by Molmil
The Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)caspase-3
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2K7Z
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BU of 2k7z by Molmil
Solution Structure of the Catalytic Domain of Procaspase-8
分子名称: Caspase-8
著者Keller, N, Zerbe, O, Mares, J, Gruetter, M.G.
登録日2008-08-28
公開日2009-03-24
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Structural and biochemical studies on procaspase-8: new insights on initiator caspase activation.
Structure, 17, 2009
2NN3
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structure of pro-sf-caspase-1
分子名称: Caspase-1
著者Fisher, A.J, Ni, L.
登録日2006-10-23
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pro-sfcapsase-1, structural insights into activation mechanism of caspases
To be Published
4ZVR
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Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to DEVD inhibitor.
分子名称: Caspase-7, Peptide ACE-ASP-GLU-VAL-ASJ
著者Hill, M.E, MacPherson, D.J, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVT
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Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to VEID inhibitor.
分子名称: Caspase-7, VEID inhibitor
著者Hardy, J.A, MacPherson, D.J, Hill, M.E.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016

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