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PDB: 135 件
2DKO
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BU of 2dko by Molmil
Extended substrate recognition in caspase-3 revealed by high resolution X-ray structure analysis
分子名称: Caspase-3, PHQ-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE
著者Mittl, P.R.E, Ganesan, R, Jelakovic, S, Grutter, M.G.
登録日2006-04-12
公開日2006-07-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Extended Substrate Recognition in Caspase-3 Revealed by High Resolution X-ray Structure Analysis
J.Mol.Biol., 359, 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
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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
分子名称: ACE-ASP-GLU-VAL-ASK, AZIDE ION, Caspase-3
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-22
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Tunable allosteric library of caspase-3 identifies coupling between conserved water molecules and conformational selection.
Proc.Natl.Acad.Sci.USA, 113, 2016
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
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
4JJE
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BU of 4jje by Molmil
Caspase-3 specific unnatural amino acid peptides
分子名称: Caspase inhibitor, Caspase-3
著者Vickers, C.J, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2013-03-07
公開日2013-06-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.481 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.498 Å)
主引用文献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
分子名称: ACE-1MH-ASP-PF5-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
分子名称: Caspase-3, Inhibitor Ac-DEVD-CMK
著者Walters, J, Swartz, P, Mattos, C, Clark, A.C.
登録日2010-10-22
公開日2011-02-23
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
6X8I
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BU of 6x8i by Molmil
Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
分子名称: Caspase-3, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6CKZ
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BU of 6ckz by Molmil
Human caspase-3 in complex with Ac-DW3-KE
分子名称: ACE-1MH-ASP-B3L-PHE-1U8, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Solania, A.T, Gonzalez-Paez, G.E, Wolan, D.W.
登録日2018-03-01
公開日2019-03-06
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Selective and Rapid Cell-Permeable Inhibitor of Human Caspase-3.
Acs Chem.Biol., 14, 2019
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
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CASPASE-3
著者Feeney, B, Pop, C, Swartz, P, Mattos, C, Clark, A.C.
登録日2006-08-17
公開日2006-11-08
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Role of Loop Bundle Hydrogen Bonds in the Maturation and Activity of (Pro)Caspase-3.
Biochemistry, 45, 2006
2XYG
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BU of 2xyg by Molmil
Caspase-3:CAS329306
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, N-[(2S)-4-chloro-3-oxo-1-phenyl-butan-2-yl]-4-methyl-benzenesulfonamide
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-17
公開日2011-08-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献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
分子名称: AZIDE ION, Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-26
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.543 Å)
主引用文献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
分子名称: ACE-ASP-GLU-VAL-ASK, ACETATE ION, CHLORIDE ION, ...
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-10
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
5IAJ
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BU of 5iaj by Molmil
Caspase 3 V266L
分子名称: ACE-ASP-GLU-VAL-ASK, Caspase-3, SODIUM ION
著者Maciag, J.J, Mackenzie, S.H, Tucker, M.B, Schipper, J.L, Swartz, P.D, Clark, A.C.
登録日2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献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
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
1NME
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BU of 1nme by Molmil
Structure of Casp-3 with tethered salicylate
分子名称: 2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-BENZOIC ACID, 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3
著者Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, B, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T.
登録日2003-01-09
公開日2003-03-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
6BGS
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BU of 6bgs by Molmil
Caspase-3 Mutant - S150Y
分子名称: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-29
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
4QTY
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BU of 4qty by Molmil
Caspase-3 E190A
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, AZIDE ION, Caspase-3, ...
著者Cade, C, Swartz, P.D, MacKenzie, S.H, Clark, A.C.
登録日2014-07-09
公開日2014-11-05
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
6BHA
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BU of 6bha by Molmil
Caspase-3 Mutant - T152V
分子名称: Ac-Asp-Glu-Val-Asp-CMK, Caspase-3
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-30
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.603 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
3EDQ
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BU of 3edq by Molmil
Crystal structure of Caspase-3 with inhibitor AC-LDESD-CHO
分子名称: AC-LDESD-CHO peptide, Caspase-3
著者Fu, G.
登録日2008-09-03
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural basis for executioner caspase recognition of P5 position in substrates.
Apoptosis, 13, 2008
3PD1
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BU of 3pd1 by Molmil
Caspase-3 K242A
分子名称: Caspase-3, Inhibitor Ac-DEVD-CMK
著者Walters, J, Swartz, P, Mattos, C, Clark, A.C.
登録日2010-10-22
公開日2011-02-23
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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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