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3KJQ
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BU of 3kjq by Molmil
Caspase 8 with covalent inhibitor
分子名称: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8
著者Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G.
登録日2009-11-03
公開日2010-08-11
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3K7E
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BU of 3k7e by Molmil
Crystal structure of human ligand-free mature caspase-6
分子名称: Caspase-6
著者Vaidya, S, Hardy, J.A.
登録日2009-10-13
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-function analysis of caspase-6
To be Published
2XZT
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BU of 2xzt by Molmil
Caspase-3 in Complex with DARPin-3.4_I78S
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CASPASE-3, DARPIN-3.4_I78S
著者Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
登録日2010-11-29
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Caspase-3 in Complex with Darpin-3.4_I78S
To be Published
2WDP
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BU of 2wdp by Molmil
Crystal Structure of Ligand Free Human Caspase-6
分子名称: CASPASE-6, PHOSPHATE ION
著者Baumgartner, R, Briand, C, Meder, G, Morse, R, Renatus, M.
登録日2009-03-25
公開日2009-10-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Crystal Structure of Caspase-6, a Selective Effector of Axonal Degeneration.
Biochem.J., 423, 2009
2XYP
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BU of 2xyp by Molmil
Caspase-3:CAS26049945
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-18
公開日2011-08-17
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2XYG
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BU of 2xyg by Molmil
Caspase-3:CAS329306
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-17
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2XZD
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BU of 2xzd by Molmil
Caspase-3 in Complex with an Inhibitory DARPin-3.4
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ...
著者Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
登録日2010-11-24
公開日2011-12-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
2QL5
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Crystal Structure of caspase-7 with inhibitor AC-DMQD-CHO
分子名称: CITRIC ACID, Caspase-7, inhibitor, ...
著者Agniswamy, J, Fang, B, Weber, I.
登録日2007-07-12
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QLJ
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BU of 2qlj by Molmil
Crystal Structure of Caspase-7 with Inhibitor AC-WEHD-CHO
分子名称: CITRIC ACID, Caspase-7, Inhibitor AC-WEHD-CHO, ...
著者Agniswamy, J, Fang, B, Weber, I.
登録日2007-07-12
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QL9
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BU of 2ql9 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DQMD-CHO
分子名称: CITRIC ACID, Caspase-7, Inhibitor AC-DQMD-CHO, ...
著者Agniswamy, J, Fang, B, Weber, I.
登録日2007-07-12
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2Y0B
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BU of 2y0b by Molmil
Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ...
著者Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G.
登録日2010-12-01
公開日2011-12-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
2Y1L
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BU of 2y1l by Molmil
Caspase-8 in Complex with DARPin-8.4
分子名称: 1,2-ETHANEDIOL, AC-IETD-CHO, Caspase-8, ...
著者Barandun, J, Schroeder, T, Mittl, P.R.E, Grutter, M.G.
登録日2010-12-08
公開日2011-12-28
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Caspase-8 in Complex with Darpin-8.4
To be Published
2XYH
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BU of 2xyh by Molmil
Caspase-3:CAS60254719
分子名称: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-17
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
2QL7
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BU of 2ql7 by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-IEPD-CHO
分子名称: CITRIC ACID, Caspase-7, Inhibitor AC-IEPD_CHO, ...
著者Agniswamy, J, Fang, B, Weber, I.
登録日2007-07-12
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QLF
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BU of 2qlf by Molmil
Crystal Structure of Caspase-7 with inhibitor AC-DNLD-CHO
分子名称: Caspase-7, Inhibitor AC-DNLD-CHO, Peptide QGHGE
著者Agniswamy, J, Fang, B, Weber, I.
登録日2007-07-12
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2QLB
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BU of 2qlb by Molmil
Crystal Structure of caspase-7 with inhibitor AC-ESMD-CHO
分子名称: CITRIC ACID, Caspase-7, Inhibitor AC-ESMD-CHO, ...
著者Agniswamy, J, Fang, B, Weber, I.
登録日2007-07-12
公開日2007-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Plasticity of S2-S4 specificity pockets of executioner caspase-7 revealed by structural and kinetic analysis.
Febs J., 274, 2007
2P2C
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BU of 2p2c by Molmil
Inhibition of caspase-2 by a designed ankyrin repeat protein (DARPin)
分子名称: Caspase-2
著者Roschitzki Voser, H, Briand, C, Capitani, G, Gruetter, M.G.
登録日2007-03-07
公開日2007-05-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Inhibition of Caspase-2 by a Designed Ankyrin Repeat Protein: Specificity, Structure, and Inhibition Mechanism.
Structure, 15, 2007
4LSZ
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BU of 4lsz by Molmil
Caspase-7 in Complex with DARPin D7.18
分子名称: Caspase-7 subunit p10, Caspase-7 subunit p20, DARPin D7.18
著者Fluetsch, A, Lukarska, M, Gruetter, M.G.
登録日2013-07-23
公開日2014-07-02
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Combined inhibition of caspase 3 and caspase 7 by two highly selective DARPins slows down cellular demise.
Biochem.J., 461, 2014
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
分子名称: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
著者Galatsis, P.
登録日2010-07-01
公開日2011-08-17
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
4M9R
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BU of 4m9r by Molmil
Crystal structure of CED-3
分子名称: Cell death protein 3
著者Xu, Y, Jeffrey, P.D, Shi, Y.G.
登録日2013-08-15
公開日2013-10-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.656 Å)
主引用文献Mechanistic insights into CED-4-mediated activation of CED-3
Genes Dev., 27, 2013
3NR2
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BU of 3nr2 by Molmil
Crystal structure of Caspase-6 zymogen
分子名称: Caspase-6
著者Su, X.-D, Wang, X.-J, Liu, X, Mi, W, Wang, K.-T.
登録日2010-06-30
公開日2010-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
4N7M
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BU of 4n7m by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
分子名称: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
著者Murray, J.M, Steffek, M.
登録日2013-10-15
公開日2013-12-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.125 Å)
主引用文献Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
3OD5
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BU of 3od5 by Molmil
Crystal structure of active caspase-6 bound with Ac-VEID-CHO
分子名称: CACODYLATE ION, Caspase-6, peptide aldehyde inhibitor AC-VEID-CHO
著者Wang, X.-J, Liu, X, Wang, K.-T, Cao, Q, Su, X.-D.
登録日2010-08-11
公開日2010-10-27
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of human caspase 6 reveal a new mechanism for intramolecular cleavage self-activation
Embo Rep., 11, 2010
3P45
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BU of 3p45 by Molmil
Crystal structure of apo-caspase-6 at physiological pH
分子名称: caspase-6
著者Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2010-10-06
公開日2011-06-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Crystal structures of active and inhibitor-bound human Casp6
To be Published
7WR0
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BU of 7wr0 by Molmil
P32 of caspase-4 C258A mutant
分子名称: Caspase-4
著者Hou, Y.J, Zeng, H, Shao, F, Ding, J.
登録日2022-01-26
公開日2023-01-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural mechanisms of calmodulin activation of Shigella effector OspC3 to ADP-riboxanate caspase-4/11 and block pyroptosis.
Nat.Struct.Mol.Biol., 30, 2023

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