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4EHL
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BU of 4ehl by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHD
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BU of 4ehd by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4DCO
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BU of 4dco by Molmil
Crystal Structure of caspase 3, L168Y mutant
分子名称: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Chung, S.J, Kang, H.J, Kim, S.J.
登録日2012-01-18
公開日2012-12-12
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular insight into the role of the leucine residue on the L2 loop in the catalytic activity of caspases 3 and 7
Biosci.Rep., 32, 2012
3R5J
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BU of 3r5j by Molmil
Crystal structure of active caspase-2 bound with Ac-ADVAD-CHO
分子名称: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)ADVAD-CHO
著者Tang, Y, Wells, J, Arkin, M.
登録日2011-03-18
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R6L
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BU of 3r6l by Molmil
Caspase-2 T380A bound with Ac-VDVAD-CHO
分子名称: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)VDVAD-CHO
著者Tang, Y, Wells, J, Arkin, M.
登録日2011-03-21
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
3R7B
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BU of 3r7b by Molmil
Caspase-2 bound to one copy of Ac-DVAD-CHO
分子名称: Caspase-2 subunit p12, Caspase-2 subunit p18, Peptide Inhibitor (ACE)DVAD-CHO
著者Tang, Y, Wells, J, Arkin, M.
登録日2011-03-22
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and enzymatic insights into caspase-2 protein substrate recognition and catalysis.
J.Biol.Chem., 286, 2011
4EHN
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BU of 4ehn by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHF
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BU of 4ehf by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.655 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EJF
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BU of 4ejf by Molmil
Allosteric peptides that bind to a caspase zymogen and mediate caspase tetramerization
分子名称: Caspase-6, PHOSPHATE ION, phage-derived peptide 419
著者Murray, J.M.
登録日2012-04-06
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6465 Å)
主引用文献Allosteric peptides bind a caspase zymogen and mediate caspase tetramerization.
Nat.Chem.Biol., 8, 2012
4EHK
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BU of 4ehk by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
著者Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
登録日2012-04-02
公開日2012-06-06
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.668 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4F6P
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BU of 4f6p by Molmil
Crystal structure of the yeast metacaspase Yca1 C276A mutant
分子名称: 1,1-diphenylethanol, Metacaspase-1
著者Wong, A.H, Yan, C.Y, Shi, Y.G.
登録日2012-05-15
公開日2013-03-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.619 Å)
主引用文献Crystal structure of the metacaspase Yca1
To be Published
3QNW
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BU of 3qnw by Molmil
Caspase-6 in complex with Z-VAD-FMK inhibitor
分子名称: Caspase-6, Z-VAD-FMK
著者Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
登録日2011-02-09
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure of human caspase-6 in complex with Z-VAD-FMK: New peptide binding mode observed for the non-canonical caspase conformation.
Bioorg.Med.Chem.Lett., 21, 2011
3SIR
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BU of 3sir by Molmil
Crystal Structure of drICE
分子名称: Caspase
著者Li, X, Wang, J, Shi, Y.
登録日2011-06-20
公開日2011-08-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structural mechanisms of DIAP1 auto-inhibition and DIAP1-mediated inhibition of drICE.
Nat Commun, 2, 2011
4FDL
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BU of 4fdl by Molmil
Crystal structure of Caspase-7
分子名称: Caspase-7
著者Kabaleeswaran, V.
登録日2012-05-28
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.801 Å)
主引用文献A class of allosteric caspase inhibitors identified by high-throughput screening.
Mol.Cell, 47, 2012
1SC1
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BU of 1sc1 by Molmil
Crystal structure of an active-site ligand-free form of the human caspase-1 C285A mutant
分子名称: CHLORIDE ION, Interleukin-1 beta convertase
著者Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
登録日2004-02-11
公開日2004-08-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1SC3
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BU of 1sc3 by Molmil
Crystal structure of the human caspase-1 C285A mutant in complex with malonate
分子名称: Interleukin-1 beta convertase, MALONATE ION
著者Romanowski, M.J, Scheer, J.M, O'Brien, T, McDowell, R.S.
登録日2004-02-11
公開日2004-08-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of a ligand-free and malonate-bound human caspase-1: implications for the mechanism of substrate binding.
Structure, 12, 2004
1SHL
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BU of 1shl by Molmil
CASPASE-7 IN COMPLEX WITH FICA ALLOSTERIC INHIBITOR
分子名称: 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE, Caspase-7
著者Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A.
登録日2004-02-25
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
1RWO
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BU of 1rwo by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-ylamino)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-pentanoic acid
分子名称: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1SHJ
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BU of 1shj by Molmil
Caspase-7 in complex with DICA allosteric inhibitor
分子名称: 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION
著者Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A.
登録日2004-02-25
公開日2004-08-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of an allosteric site in the caspases
Proc.Natl.Acad.Sci.USA, 101, 2004
1RWN
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BU of 1rwn by Molmil
Crystal structure of human caspase-1 in complex with 3-{2-ethyl-6-[4-(quinoxalin-2-ylamino)-benzoylamino]-hexanoylamino}-4-oxo-butyric acid
分子名称: 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWM
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BU of 1rwm by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[2-(5-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-thiophen-2-yl)-acetylamino]-pentanoic acid
分子名称: 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWV
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BU of 1rwv by Molmil
Crystal structure of human caspase-1 in complex with 5-[5-(1-carboxymethyl-2-oxo-propylcarbamoyl)-5-phenyl-pentylsulfamoyl]-2-hydroxy-benzoic acid
分子名称: 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Burdett, M.T, Fahr, B.T, O'Brien, T.
登録日2003-12-17
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Novel Caspase-1 Inhibitors Discovered Using Tethering(SM) with Extenders
TO BE PUBLISHED
1RWW
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BU of 1rww by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-[(6-{[4-(quinoxalin-2-ylamino)-benzoylamino]-methyl}-pyridine-3-carbonyl)-amino]-butyric acid
分子名称: 4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-PYRIDINE-3-CARBONYL)-AMINO]-BUTYRIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Fahr, B.T, O'Brien, T.
登録日2003-12-17
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006
1RWP
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BU of 1rwp by Molmil
Crystal structure of human caspase-1 in complex with 3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyric acid
分子名称: 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Fahr, B.T, O'Brien, T.
登録日2003-12-16
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
1RWX
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BU of 1rwx by Molmil
Crystal structure of human caspase-1 in complex with 4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid
分子名称: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID, Interleukin-1 beta convertase
著者Romanowski, M.J, Fahr, B.T, O'Brien, T.
登録日2003-12-17
公開日2004-12-28
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Tethering identifies fragment that yields potent inhibitors of human caspase-1.
Bioorg.Med.Chem.Lett., 16, 2006

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