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PDB: 135 件
4QUI
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BU of 4qui by Molmil
Caspase-3 F128AV266H
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, CHLORIDE 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 (1.758 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUH
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BU of 4quh by Molmil
Caspase-3 T140G
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, ...
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 (1.759 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
5IAR
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BU of 5iar by Molmil
Caspase 3 V266W
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, 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2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.76 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
2C1E
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BU of 2c1e by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
分子名称: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
著者Grutter, M.G.
登録日2005-09-14
公開日2006-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
4EHH
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BU of 4ehh 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.D, 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 (1.78 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
5IAB
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BU of 5iab by Molmil
Caspase 3 V266D
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACE-ASP-GLU-VAL-ASK, 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2016-02-21
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.79 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
4JR0
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BU of 4jr0 by Molmil
Human procaspase-3 bound to Ac-DEVD-CMK
分子名称: Ac-DEVD-CMK, CHLORIDE ION, Procaspase-3
著者Thomsen, N.D, Wells, J.A.
登録日2013-03-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.796 Å)
主引用文献Structural snapshots reveal distinct mechanisms of procaspase-3 and -7 activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
4EHL
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BU of 4ehl 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.D, 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 (1.799 Å)
主引用文献Allosteric modulation of caspase 3 through mutagenesis.
Biosci.Rep., 32, 2012
5I9B
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BU of 5i9b by Molmil
Caspase 3 V266A
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2016-02-19
公開日2016-10-26
実験手法X-RAY DIFFRACTION (1.8 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
5IAK
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BU of 5iak by Molmil
Caspase 3 V266S
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 (1.82 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
4QUE
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BU of 4que by Molmil
Caspase-3 Y195FV266H
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 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 (1.843 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
2XYP
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BU of 2xyp by Molmil
Caspase-3:CAS26049945
分子名称: CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17, PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE
著者Ganesan, R, Jelakovic, S, Grutter, M.G, Mittl, P.R.
登録日2010-11-18
公開日2011-08-17
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.86 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
6BFL
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BU of 6bfl by Molmil
Caspase-3 Mutant- D9A,D28A,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 (1.87 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
2C2K
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BU of 2c2k by Molmil
Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors.
分子名称: AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-14-(4-ETHOXY-4-OXOBUTANOYL)-11-(1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN -16-OIC ACID, ...
著者Ganesan, R, Jelakovic, S, Ekici, O.D, Li, Z.Z, James, K.E, Asgian, J.L, Campbell, A.J, Mikolajczyk, J, Salvesen, G.S, Gruetter, M.G, Powers, J.C.
登録日2005-09-29
公開日2006-09-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Design, Synthesis, and Evaluation of Aza-Peptide Michael Acceptors as Selective and Potent Inhibitors of Caspases-2, -3, -6, -7, -8, -9, and - 10.
J.Med.Chem., 49, 2006
6BGK
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BU of 6bgk by Molmil
Caspase-3 Mutant- D9A,D28A,T152D
分子名称: ACE-ASP-GLU-VAL-ASP-0QE, AZIDE ION, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-28
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
6BG4
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BU of 6bg4 by Molmil
Caspase-3 Mutant- T152D
分子名称: AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, CHLORIDE ION, ...
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-27
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
7RN8
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BU of 7rn8 by Molmil
Crystal structure of caspase-3 with inhibitor Ac-VD(Orn)VD-CHO
分子名称: Ac-VD(Orn)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-01-05
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314.
Acs Pharmacol Transl Sci, 5, 2022
6BG1
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BU of 6bg1 by Molmil
Caspase-3 Mutant - D9A,D28A,S150E
分子名称: AC-ASP-GLU-VAL-ASP-CMK, Caspase-3, SODIUM ION
著者Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C.
登録日2017-10-27
公開日2018-02-21
最終更新日2018-04-25
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
2XYH
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BU of 2xyh by Molmil
Caspase-3:CAS60254719
分子名称: 5-CHLORO-4-OXOPENTANOIC ACID, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17
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 (1.89 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
4QUA
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BU of 4qua by Molmil
Caspase-3 Y195F
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, 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 (1.892 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
4QUL
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BU of 4qul by Molmil
Caspase-3 F55W
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 (1.898 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014
1QX3
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BU of 1qx3 by Molmil
Conformational restrictions in the active site of unliganded human caspase-3
分子名称: Apopain
著者Ni, C.-Z, Li, C, Wu, J.C, Spada, A.P, Ely, K.R.
登録日2003-09-04
公開日2003-10-07
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational restrictions in the active site of unliganded human caspase-3
J.MOL.RECOG., 16, 2003
3GJS
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BU of 3gjs by Molmil
Caspase-3 Binds Diverse P4 Residues in Peptides
分子名称: Ac-YVAD-Cho inhibitor, Caspase-3 subunit p12, Caspase-3 subunit p17
著者Fang, B, Fu, G, Agniswamy, J, Harrison, R.W, Weber, I.T.
登録日2009-03-09
公開日2009-03-24
最終更新日2011-08-17
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.
Apoptosis, 14, 2009
7RNA
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BU of 7rna by Molmil
Crystal structure of caspase-3 with inhibitor Ac-ITV(Dab)D-CHO
分子名称: Ac-ITV(Dab)D-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17
著者McCue, W, Finzel, B.C.
登録日2021-07-29
公開日2022-06-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of caspase-2 inhibitors based on specific sites of caspase-2-mediated proteolysis.
Arch Pharm, 355, 2022
4QU5
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BU of 4qu5 by Molmil
Caspase-3 T140V
分子名称: ACE-ASP-GLU-VAL-ASP-CHLOROMETHYLKETONE INHIBITOR, 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 (1.908 Å)
主引用文献Modifying caspase-3 activity by altering allosteric networks.
Biochemistry, 53, 2014

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