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4QU5
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BU of 4qu5 by Molmil
Caspase-3 T140V
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUI
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BU of 4qui by Molmil
Caspase-3 F128AV266H
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.758 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QU9
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BU of 4qu9 by Molmil
Caspase-3 F128A
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUJ
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BU of 4quj by Molmil
Caspase-3 T140GV266H
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ...
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUA
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BU of 4qua by Molmil
Caspase-3 Y195F
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.892 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUB
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BU of 4qub by Molmil
Caspase-3 K137A
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
Authors:Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
Deposit date:2014-07-10
Release date:2014-11-05
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4LSZ
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BU of 4lsz by Molmil
Caspase-7 in Complex with DARPin D7.18
Descriptor: Caspase-7 subunit p10, Caspase-7 subunit p20, DARPin D7.18
Authors:Fluetsch, A, Lukarska, M, Gruetter, M.G.
Deposit date:2013-07-23
Release date:2014-07-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Combined inhibition of caspase 3 and caspase 7 by two highly selective DARPins slows down cellular demise.
Biochem.J., 461, 2014
4M9R
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BU of 4m9r by Molmil
Crystal structure of CED-3
Descriptor: Cell death protein 3
Authors:Xu, Y, Jeffrey, P.D, Shi, Y.G.
Deposit date:2013-08-15
Release date:2013-10-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.656 Å)
Cite:Mechanistic insights into CED-4-mediated activation of CED-3
Genes Dev., 27, 2013
4N7M
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BU of 4n7m by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.125 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N6G
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BU of 4n6g by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.142 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBK
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BU of 4nbk by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2-{[(3-methylpyridin-2-yl)amino]methyl}phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.936 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N7J
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BU of 4n7j by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-15
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.673 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBL
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BU of 4nbl by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4N5D
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BU of 4n5d by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6: Cpd1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-amino-2,8-dimethylpyrido[2,3-d]pyrimidin-7(8H)-one, Caspase-6, ...
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-09
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
4NBN
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BU of 4nbn by Molmil
Tailoring Small Molecules for an Allosteric Site on Procaspase-6
Descriptor: 2,2'-[pyrimidine-4,6-diylbis(iminomethanediyl)]diphenol, Caspase-6, PHOSPHATE ION
Authors:Murray, J.M, Steffek, M.
Deposit date:2013-10-23
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Tailoring small molecules for an allosteric site on procaspase-6.
Chemmedchem, 9, 2014
3PCX
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BU of 3pcx by Molmil
Caspase-3 E246A, K242A Double Mutant
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD1
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BU of 3pd1 by Molmil
Caspase-3 K242A
Descriptor: Caspase-3, Inhibitor Ac-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
3PD0
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BU of 3pd0 by Molmil
Caspase-3 E246A
Descriptor: CHLORIDE ION, Caspase-3, INHIBITOR AC-DEVD-CMK
Authors:Walters, J, Swartz, P, Mattos, C, Clark, A.C.
Deposit date:2010-10-22
Release date:2011-02-16
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Thermodynamic, enzymatic and structural effects of removing a salt bridge at the base of loop 4 in (pro)caspase-3.
Arch.Biochem.Biophys., 508, 2011
4DCP
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BU of 4dcp by Molmil
Crystal Structure of caspase 3, L168F mutant
Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Chung, S.J, Kang, H.J, Kim, S.J.
Deposit date:2012-01-18
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
4DCO
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BU of 4dco by Molmil
Crystal Structure of caspase 3, L168Y mutant
Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Chung, S.J, Kang, H.J, Kim, S.J.
Deposit date:2012-01-18
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
4DCJ
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BU of 4dcj by Molmil
Crystal structure of caspase 3, L168D mutant
Descriptor: Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Chung, S.J, Kang, H.J, Kim, S.J.
Deposit date:2012-01-17
Release date:2012-12-12
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
3QNW
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BU of 3qnw by Molmil
Caspase-6 in complex with Z-VAD-FMK inhibitor
Descriptor: Caspase-6, Z-VAD-FMK
Authors:Mueller, I, Lamers, M, Ritchie, A, Park, H, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
Deposit date:2011-02-09
Release date:2011-09-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite: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
4EHA
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BU of 4eha by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
4EHH
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BU of 4ehh by Molmil
Allosteric Modulation of Caspase-3 through Mutagenesis
Descriptor: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, Caspase-3
Authors:Walters, J, Schipper, J.L, Swartz, P.D, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
3R5K
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BU of 3r5k by Molmil
A designed redox-controlled caspase-7
Descriptor: Caspase-7, FORMIC ACID
Authors:Witkowski, W.A, Hardy, J.A.
Deposit date:2011-03-18
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:A designed redox-controlled caspase.
Protein Sci., 20, 2011

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