2DKO
 
 | | 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
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2J32
 | | 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
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5IBP
 | | 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
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2J30
 | | 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
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4JJE
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4QUJ
 | | 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
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6X8I
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2J31
 | | 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
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6CL0
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6CKZ
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3PCX
 | | 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
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6BFO
 | | 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
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2XYG
 | | 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
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5IAS
 | | 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
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6BFJ
 | | 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
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5IAE
 | | 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
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4QU9
 | | 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
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5IAJ
 | | 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
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4EHD
 | | 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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6BGS
 | | Caspase-3 Mutant - S150Y | | Descriptor: | Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-29 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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1NME
 | | Structure of Casp-3 with tethered salicylate | | Descriptor: | 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | Authors: | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | Deposit date: | 2003-01-09 | | Release date: | 2003-03-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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4QTY
 | | Caspase-3 E190A | | 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: | 2014-07-09 | | Release date: | 2014-11-05 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.602 Å) | | Cite: | Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
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6BHA
 | | Caspase-3 Mutant - T152V | | Descriptor: | Ac-Asp-Glu-Val-Asp-CMK, Caspase-3 | | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | Deposit date: | 2017-10-30 | | Release date: | 2018-02-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.603 Å) | | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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3EDQ
 | | Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO | | Descriptor: | AC-LDESD-CHO peptide, Caspase-3 | | Authors: | Fu, G. | | Deposit date: | 2008-09-03 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
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3PD1
 | | 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
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