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2XYH
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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
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
1NMS
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BU of 1nms by Molmil
Caspase-3 tethered to irreversible inhibitor
分子名称: 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1NMQ
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BU of 1nmq by Molmil
Extendend Tethering: In Situ Assembly of Inhibitors
分子名称: 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-10
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
1PAU
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BU of 1pau by Molmil
Crystal structure of the complex of apopain with the tetrapeptide aldehyde inhibitor AC-DEVD-CHO
分子名称: ACE-ASP-GLU-VAL-ASJ, APOPAIN
著者Rotonda, J, Becker, J.W.
登録日1996-06-06
公開日1997-07-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The three-dimensional structure of apopain/CPP32, a key mediator of apoptosis.
Nat.Struct.Biol., 3, 1996
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
1PYO
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Crystal Structure of Human Caspase-2 in Complex with Acetyl-Leu-Asp-Glu-Ser-Asp-cho
分子名称: ACETYL-LEU-ASP-GLU-SER-ASJ, Caspase-2
著者Schweizer, A, Briand, C, Grutter, M.G.
登録日2003-07-09
公開日2003-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of caspase-2, apical initiator of the intrinsic apoptotic pathway.
J.Biol.Chem., 278, 2003
6NS7
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Crystal structure of murine caspase-11
分子名称: Caspase-11, SULFATE ION
著者Yang, J, Liu, Z, Xiao, T.S.
登録日2019-01-24
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of murine caspase-11
To Be Published
6NRY
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BU of 6nry by Molmil
Crystal structure of human caspase-4
分子名称: Caspase-4, GLYCEROL
著者Yang, J, Liu, Z, Shi, W, Xiao, T.S.
登録日2019-01-24
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.184 Å)
主引用文献Crystal structure of human caspase-4
To Be Published
1QDU
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BU of 1qdu by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TRIPEPTIDE KETONE INHIBITOR ZEVD-DCBMK
分子名称: CASPASE-8 ALPHA-CHAIN, CASPASE-8 BETA-CHAIN, PHQ-GLU-VAL-ASP-DICHLOROMETHYLKETONE INHIBITOR
著者Blanchard, H, Grutter, M.G.
登録日1999-07-10
公開日2000-07-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The three-dimensional structure of caspase-8: an initiator enzyme in apoptosis.
Structure Fold.Des., 7, 1999
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
1IBC
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BU of 1ibc by Molmil
CRYSTAL STRUCTURE OF INHIBITED INTERLEUKIN-1BETA CONVERTING ENZYME
分子名称: INTERLEUKIN-1BETA CONVERTING ENZYME, PEPTIDE ACE-TRP-GLU-HIS-ASA
著者Becker, J.W, Rotonda, J.
登録日1997-02-12
公開日1998-02-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献A combinatorial approach for determining protease specificities: application to interleukin-1beta converting enzyme (ICE).
Chem.Biol., 4, 1997
1ICE
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BU of 1ice by Molmil
STRUCTURE AND MECHANISM OF INTERLEUKIN-1BETA CONVERTING ENZYME
分子名称: INTERLEUKIN-1 BETA CONVERTING ENZYME, TETRAPEPTIDE ALDEHYDE
著者Wilson, K.P, Griffith, J.P, Kim, E.E, Navia, M.A.
登録日1994-09-29
公開日1995-07-28
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and mechanism of interleukin-1 beta converting enzyme.
Nature, 370, 1994
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
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
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
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
3V6L
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BU of 3v6l by Molmil
Crystal Structure of caspase-6 inactivation mutation
分子名称: Caspase-6
著者Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D.
登録日2011-12-20
公開日2012-03-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
3V6M
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Inhibition of caspase-6 activity by single mutation outside the active site
分子名称: Caspase-6
著者Cao, Q, Wang, X.J, Liu, D.F, Li, L.F, Su, X.D.
登録日2011-12-20
公開日2012-03-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.692 Å)
主引用文献Inhibitory mechanism of caspase-6 phosphorylation revealed by crystal structures, molecular dynamics simulations, and biochemical assays
J.Biol.Chem., 287, 2012
1K86
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BU of 1k86 by Molmil
Crystal structure of caspase-7
分子名称: caspase-7
著者Chai, J, Wu, Q, Shiozaki, E, Srinivasa, S.M, Alnemri, E.S, Shi, Y.
登録日2001-10-23
公開日2001-11-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a procaspase-7 zymogen: mechanisms of activation and substrate binding
Cell(Cambridge,Mass.), 107, 2001
3V4O
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BU of 3v4o by Molmil
Human MALT1 (caspase domain) in complex with an irreversible peptidic inhibitor
分子名称: MALT1 Inhibitor, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
著者Renatus, M, Wiesmann, C.
登録日2011-12-15
公開日2012-03-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Determinants of MALT1 Protease Activity.
J.Mol.Biol., 419, 2012
1JXQ
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Structure of cleaved, CARD domain deleted Caspase-9
分子名称: Caspase-9, benzoxycarbonyl-Val-Ala-Asp-fluoromethyl ketone Inhibitor
著者Renatus, M, Stennicke, H.R, Scott, F.L, Liddington, R.C, Salvesen, G.S.
登録日2001-09-08
公開日2001-12-12
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dimer formation drives the activation of the cell death protease caspase 9.
Proc.Natl.Acad.Sci.USA, 98, 2001
3DEK
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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

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