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2DKO
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BU of 2dko by Molmil
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
Descriptor: Caspase-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
Authors:Mittl, P.R.E, Ganesan, R, Jelakovic, S, Grutter, M.G.
Deposit date:2006-04-12
Release date:2006-07-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-ray Structure Analysis
J.Mol.Biol., 359, 2006
4JJ7
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BU of 4jj7 by Molmil
Caspase-3 specific unnatural amino acid-based peptides
Descriptor: Caspase inhibitor, Caspase-8, DITHIANE DIOL
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.178 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
1QTN
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BU of 1qtn by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-8 WITH THE TETRAPEPTIDE INHIBITOR ACE-IETD-ALDEHYDE
Descriptor: ACETYL-ILE-GLU-THR-ASP-ALDEHYDE, CASPASE-8, DITHIANE DIOL
Authors:Watt, W, Watenpaugh, K.D.
Deposit date:1999-06-28
Release date:2000-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The atomic-resolution structure of human caspase-8, a key activator of apoptosis.
Structure Fold.Des., 7, 1999
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
5IBP
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BU of 5ibp by Molmil
Caspase 3 V266M
Descriptor: ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-22
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
4AF8
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BU of 4af8 by Molmil
The structural basis for metacaspase substrate specificity and activation
Descriptor: CHLORIDE ION, METACASPASE MCA2, SODIUM ION
Authors:McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
Deposit date:2012-01-18
Release date:2012-05-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
8WRA
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BU of 8wra by Molmil
The Crystal Structure of CASP1 from Biortus
Descriptor: 1,2-ETHANEDIOL, Caspase-1
Authors:Wang, F, Cheng, W, Yuan, Z, Lin, D, Guo, S.
Deposit date:2023-10-13
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Crystal Structure of CASP1 from Biortus.
To Be Published
6X8H
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BU of 6x8h by Molmil
Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
Descriptor: Ac-DW3-KE, Caspase-8
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
To Be Published
4JJE
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BU of 4jje by Molmil
Caspase-3 specific unnatural amino acid peptides
Descriptor: Caspase inhibitor, Caspase-3
Authors:Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2013-03-07
Release date:2013-06-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.481 Å)
Cite:Selective Detection of Caspase-3 versus Caspase-7 Using Activity-Based Probes with Key Unnatural Amino Acids.
Acs Chem.Biol., 8, 2013
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
6CL0
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BU of 6cl0 by Molmil
Human caspase-3 in complex with Ac-ATS009-KE
Descriptor: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
6CKZ
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BU of 6ckz by Molmil
Human caspase-3 in complex with Ac-DW3-KE
Descriptor: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
Authors:Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
Deposit date:2018-03-01
Release date:2019-03-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
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
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
4AFV
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BU of 4afv by Molmil
THE STRUCTURE OF METACASPASE 2 FROM T. BRUCEI DETERMINED IN THE PRESENCE OF CALCIUM CHLORIDE
Descriptor: METACASPASE MCA2
Authors:McLuskey, K, Rudolf, J, Isaacs, N.W, Coombs, G.H, Moss, C.X, Mottram, J.C.
Deposit date:2012-01-23
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of a Trypanosoma Brucei Metacaspase.
Proc.Natl.Acad.Sci.USA, 109, 2012
6X8I
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BU of 6x8i by Molmil
Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
2XYG
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BU of 2xyg by Molmil
Caspase-3:CAS329306
Descriptor: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
Authors:Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
Deposit date:2010-11-17
Release date:2011-08-17
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:In Silico Identification and Crystal Structure Validation of Caspase-3 Inhibitors without a P1 Aspartic Acid Moiety.
Acta Crystallogr.,Sect.F, 67, 2011
5IAS
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BU of 5ias by Molmil
Caspase 3 V266Y
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
6BFO
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BU of 6bfo by Molmil
Caspase-3 Mutant- T245D
Descriptor: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3, ...
Authors:Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
Deposit date:2017-10-26
Release date:2018-02-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BFJ
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BU of 6bfj by Molmil
Caspase-3 Mutant - T245D,S249D
Descriptor: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
Authors:Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
Deposit date:2017-10-26
Release date:2018-02-21
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
5IAE
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BU of 5iae by Molmil
Caspase 3 V266F
Descriptor: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ...
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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
5IAJ
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BU of 5iaj by Molmil
Caspase 3 V266L
Descriptor: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
Authors:Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
Deposit date:2016-02-21
Release date:2016-10-26
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
4EHD
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BU of 4ehd 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, Mattos, C, Clark, A.C.
Deposit date:2012-04-02
Release date:2012-06-06
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012

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