6BG4
 
 | | 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
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6BDV
 | | Crystal structure of Caspase 3 S150A | | 分子名称: | AZIDE ION, Acetyl-Asp-Glu-Val-Asp-CMK, CHLORIDE ION, ... | | 著者 | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | | 登録日 | 2017-10-24 | | 公開日 | 2018-02-14 | | 最終更新日 | 2018-04-25 | | 実験手法 | X-RAY DIFFRACTION (1.938 Å) | | 主引用文献 | Modifications to a common phosphorylation network provide individualized control in caspases.
J. Biol. Chem., 293, 2018
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2DKO
 | | 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
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4DCP
 | | Crystal Structure of caspase 3, L168F mutant | | 分子名称: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | 著者 | Chung, S.J, Kang, H.J, Kim, S.J. | | 登録日 | 2012-01-18 | | 公開日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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
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4DCO
 | | Crystal Structure of caspase 3, L168Y mutant | | 分子名称: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | 著者 | Chung, S.J, Kang, H.J, Kim, S.J. | | 登録日 | 2012-01-18 | | 公開日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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
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4DCJ
 | | Crystal structure of caspase 3, L168D mutant | | 分子名称: | Caspase Inhibitor AC-DEVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | | 著者 | Chung, S.J, Kang, H.J, Kim, S.J. | | 登録日 | 2012-01-17 | | 公開日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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
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1NMS
 | | Caspase-3 tethered to irreversible inhibitor | | 分子名称: | 5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID, Caspase-3 | | 著者 | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W.L, Choong, I.C, Flanagan, W.M, Lee, D, O'Brian, T. | | 登録日 | 2003-01-10 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1NME
 | | 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
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1NMQ
 | | Extendend Tethering: In Situ Assembly of Inhibitors | | 分子名称: | 3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID, Caspase-3 | | 著者 | Erlanson, D.A, Lam, J, Wiesmann, C, Luong, T.N, Simmons, R.L, DeLano, W, Choong, I.C, Flanagan, M, Lee, D, O'Brian, T. | | 登録日 | 2003-01-10 | | 公開日 | 2003-03-11 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | In situ assembly of enzyme inhibitors using extended tethering.
Nat.Biotechnol., 21, 2003
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1QX3
 | | 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
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2XYP
 | | 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
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2XYG
 | | 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
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2XZD
 | | Caspase-3 in Complex with an Inhibitory DARPin-3.4 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ... | | 著者 | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | | 登録日 | 2010-11-24 | | 公開日 | 2011-12-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
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1RHU
 | | CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR | | 分子名称: | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3 | | 著者 | Becker, J.W, Rotonda, J, Soisson, S.M. | | 登録日 | 2003-11-14 | | 公開日 | 2004-05-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
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2Y0B
 | | Caspase-3 in Complex with an Inhibitory DARPin-3.4_S76R | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CASPASE-3, ... | | 著者 | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | | 登録日 | 2010-12-01 | | 公開日 | 2011-12-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Specific Inhibition of Caspase-3 by a Competitive Darpin: Molecular Mimicry between Native and Designed Inhibitors.
Structure, 21, 2013
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1RE1
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2XYH
 | | 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
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1RHM
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1RHR
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1RHJ
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2XZT
 | | Caspase-3 in Complex with DARPin-3.4_I78S | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, CASPASE-3, DARPIN-3.4_I78S | | 著者 | Barandun, J, Schroeder, T, Mittl, P, Grutter, M.G. | | 登録日 | 2010-11-29 | | 公開日 | 2011-12-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Caspase-3 in Complex with Darpin-3.4_I78S
To be Published
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2C1E
 | | 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
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2C2O
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | 分子名称: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-{4-[BENZYL(METHYL) AMINO]-4-OXOBUTANOYL}-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-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, 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 (2.45 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
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2C2M
 | | Crystal structures of caspase-3 in complex with aza-peptide Michael acceptor inhibitors. | | 分子名称: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUTANOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-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, 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 (1.94 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
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2C2K
 | | 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
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