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2CJY
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Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Descriptor: CASPASE-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
Authors:Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G.
Deposit date:2006-04-09
Release date:2006-06-27
Last modified:2017-06-28
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-Ray Structure Analysis
J.Mol.Biol., 359, 2006
2FP3
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BU of 2fp3 by Molmil
Crystal structure of the Drosophila initiator caspase Dronc
Descriptor: Caspase Nc
Authors:Yan, N, Gu, L, Shi, Y.
Deposit date:2006-01-15
Release date:2006-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and activation mechanism of the Drosophila initiator caspase dronc
J.Biol.Chem., 281, 2006
2FQQ
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Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide
Descriptor: 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-01-18
Release date:2006-05-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 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
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
Authors:Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
Authors:Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
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
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
Authors:Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2HBR
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BU of 2hbr by Molmil
Crystal structure of human caspase-1 (Arg286->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2HBZ
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Crystal structure of human caspase-1 (Arg286->Ala, Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, PHQ-VAD-fluoromethylketone inhibitor
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2HBY
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BU of 2hby by Molmil
Crystal structure of human caspase-1 (Glu390->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H65
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Crystal strusture of caspase-3 with inhibitor Ac-VDVAD-Cho
Descriptor: Ac-VDVAD-Cho, caspase-3, p12 subunit, ...
Authors:Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
Deposit date:2006-05-30
Release date:2006-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 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
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
Authors:Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2006-08-17
Release date:2006-11-08
Last modified:2019-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: Caspase-8
Authors:Keller, N, Zerbe, O, Mares, J, Gruetter, M.G.
Deposit date:2008-08-28
Release date:2009-03-24
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structural and biochemical studies on procaspase-8: new insights on initiator caspase activation.
Structure, 17, 2009
2HBQ
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BU of 2hbq by Molmil
Crystal structure of wildtype human caspase-1 in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-06-14
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Common Allosteric Site and Mechanism in Caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H5I
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BU of 2h5i by Molmil
Crystal structure of caspase-3 with inhibitor Ac-DEVD-Cho
Descriptor: Ac-DEV(ASJ), caspase-3, p12 subunit, ...
Authors:Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
Deposit date:2006-05-26
Release date:2006-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
2H48
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Crystal structure of human caspase-1 (Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase 1, isoform gamma, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-23
Release date:2006-06-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A common allosteric site and mechanism in caspases
Proc.Natl.Acad.Sci.USA, 103, 2006
2H54
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BU of 2h54 by Molmil
Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H4Y
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BU of 2h4y by Molmil
Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H51
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BU of 2h51 by Molmil
Crystal structure of human caspase-1 (Glu390->Asp and Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H5J
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BU of 2h5j by Molmil
Crystal strusture of caspase-3 with inhibitor Ac-DMQD-Cho
Descriptor: Ac-DMQD-Cho, caspase-3, p12 subunit, ...
Authors:Fang, B, Boross, P.I, Tozser, J, Weber, I.T.
Deposit date:2006-05-26
Release date:2006-09-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and kinetic analysis of caspase-3 reveals role for s5 binding site in substrate recognition
J.Mol.Biol., 360, 2006
2H4W
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BU of 2h4w by Molmil
Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
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
Descriptor: 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 2-(2,4-DICHLORO-PHENOXY)-N-(2-MERCAPTO-ETHYL)-ACETAMIDE, Caspase-7, SULFATE ION
Authors:Hardy, J.A, Lam, J, Nguyen, J.T, O'Brien, T, Wells, J.A.
Deposit date:2004-02-25
Release date:2004-08-17
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: 3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Burdett, M.T, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-17
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Novel Caspase-1 Inhibitors Discovered Using Tethering(SM) with Extenders
TO BE PUBLISHED
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
Descriptor: 4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-METHYL}-THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID, Interleukin-1 beta convertase
Authors:Romanowski, M.J, Waal, N.D, Fahr, B.T, O'Brien, T.
Deposit date:2003-12-16
Release date:2004-12-28
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005

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