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3IBC
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BU of 3ibc by Molmil
Crystal Structure of Caspase-7 incomplex with Acetyl-YVAD-CHO
分子名称: Acetyl-YVAD-CHO, Caspase-7
著者Agniswamy, J.
登録日2009-07-15
公開日2009-09-01
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Conformational similarity in the activation of caspase-3 and -7 revealed by the unliganded and inhibited structures of caspase-7.
Apoptosis, 14, 2009
3H1P
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BU of 3h1p by Molmil
Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site
分子名称: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE
著者Witkowski, W.A, Hardy, J.A.
登録日2009-04-13
公開日2009-06-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献L2' loop is critical for caspase-7 active site formation.
Protein Sci., 18, 2009
3H13
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BU of 3h13 by Molmil
c-FLIPL protease-like domain
分子名称: CASP8 and FADD-like apoptosis regulator
著者Jeffrey, P.D, Yu, J.W, Shi, Y.
登録日2009-04-10
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mechanism of procaspase-8 activation by c-FLIPL.
Proc.Natl.Acad.Sci.USA, 106, 2009
3H11
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BU of 3h11 by Molmil
Zymogen caspase-8:c-FLIPL protease domain complex
分子名称: CASP8 and FADD-like apoptosis regulator, Caspase-8, IETD aldehyde inhibitor
著者Jeffrey, P.D, Yu, J.W, Shi, Y.
登録日2009-04-10
公開日2009-04-28
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of procaspase-8 activation by c-FLIPL.
Proc.Natl.Acad.Sci.USA, 106, 2009
3H0E
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BU of 3h0e by Molmil
3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as Potent Non-Peptidic Inhibitors of Caspase-3
分子名称: (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol, Caspase-3
著者Xu, W.
登録日2009-04-09
公開日2009-11-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3
Bioorg.Med.Chem., 17, 2009
3GJT
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BU of 3gjt by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3GJS
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BU of 3gjs by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2011-08-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3GJR
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BU of 3gjr by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, GLYCEROL, ...
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3GJQ
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BU of 3gjq by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Caspase-3 subunit p12, Caspase-3 subunit p17, peptide inhibitor
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
3EDR
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BU of 3edr by Molmil
The crystal structure of caspase-7 in complex with Acetyl-LDESD-CHO
分子名称: Caspase-7, Inhibitor Ac-ldesd-cho peptide
著者Agniswamy, J.
登録日2008-09-03
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3EDQ
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BU of 3edq by Molmil
Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO
分子名称: AC-LDESD-CHO peptide, Caspase-3
著者Fu, G.
登録日2008-09-03
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3E4C
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BU of 3e4c by Molmil
Procaspase-1 zymogen domain crystal structure
分子名称: Caspase-1, MAGNESIUM ION
著者Elliott, J.M, Rouge, L, Wiesmann, C, Scheer, J.M.
登録日2008-08-11
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of procaspase-1 zymogen domain reveals insight into inflammatory caspase autoactivation
J.Biol.Chem., 284, 2009
3DEK
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BU of 3dek by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: Caspase-3, N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEJ
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BU of 3dej by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEI
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BU of 3dei by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate, Caspase-3
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3DEH
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BU of 3deh by Molmil
Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
分子名称: Caspase-3, isoquinoline-1,3,4(2H)-trione
著者Wu, J, Du, J, Li, J, Ding, J.
登録日2008-06-10
公開日2008-09-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Isoquinoline-1,3,4-trione Derivatives Inactivate Caspase-3 by Generation of Reactive Oxygen Species
J.Biol.Chem., 283, 2008
3D6M
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BU of 3d6m by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Lys319->Arg substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
登録日2008-05-19
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published, 2008
3D6H
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BU of 3d6h by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Asn263->Ser substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, Caspase-1 precursor, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
登録日2008-05-19
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published, 2008
3D6F
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BU of 3d6f by Molmil
Crystal structure of human caspase-1 with a naturally-occurring Arg240->Gln substitution in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
分子名称: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
著者Rosen-Wolff, A, Roesler, J, Romanowski, M.J.
登録日2008-05-19
公開日2010-03-02
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutated, structurally altered caspase-1 with decreased enzymatic and increased RIP2-meditated inflammatory activity leads to a new type of periodic fever (ICE fever).
To be Published
3BIJ
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BU of 3bij by Molmil
Crystal structure of protein GSU0716 from Geobacter sulfurreducens. Northeast Structural Genomics target GsR13
分子名称: Uncharacterized protein GSU0716
著者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)
登録日2007-11-30
公開日2007-12-11
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of protein GSU0716 from Geobacter sulfurreducens.
To be Published
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2023-12-20
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
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
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
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
2XYP
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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

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