1SC4
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1RHQ
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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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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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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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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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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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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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2CJX
| 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 | Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G. | 登録日 | 2006-04-09 | 公開日 | 2006-06-27 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (1.7 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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2C2Z
| Crystal structure of caspase-8 in complex with aza-peptide Michael acceptor inhibitor | 分子名称: | AZA-PEPTIDE INHIBITOR (5S, 8R, 11S)-8-(2-CARBOXYETHYL) -14-[4-(3,4-DIHYDROQUINOLIN-1(2H)-YL)-4-OXOBUTANOYL] -11-[(1R)-1-HYDROXYETHYL]-5-(2-METHYLPROPYL)-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, Powers, J.C, Gruetter, M.G. | 登録日 | 2005-10-02 | 公開日 | 2006-09-20 | 最終更新日 | 2017-02-08 | 実験手法 | X-RAY DIFFRACTION (1.95 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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2CNO
| Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | 分子名称: | Aza-peptide epoxide, Caspase-3 | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | 登録日 | 2006-05-22 | 公開日 | 2007-05-22 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors Biochemistry, 45, 2006
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2CDR
| Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | 分子名称: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Gruetter, M.G. | 登録日 | 2006-01-27 | 公開日 | 2007-03-20 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors. Biochemistry, 45, 2006
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2CNL
| Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | 分子名称: | AZA-PEPTIDE EPOXIDE, CASPASE-3 SUBUNIT P12, CASPASE-3 SUBUNIT P17 | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Grutter, M.G, Powers, J.C. | 登録日 | 2006-05-22 | 公開日 | 2007-05-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors Biochemistry, 45, 2006
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2CNN
| Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | 分子名称: | AZA-PEPTIDE EXPOXIDE, Caspase-3 | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | 登録日 | 2006-05-22 | 公開日 | 2007-05-22 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors Biochemistry, 45, 2006
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2CNK
| Crystal structures of caspase-3 in complex with aza-peptide epoxide inhibitors. | 分子名称: | AZA-PEPTIDE EXPOXIDE, CASPASE-3 P12 SUBUNIT, CASPASE-3 P17 SUBUNIT | 著者 | Ganesan, R, Jelakovic, S, Campbell, A.J, Li, Z.Z, Asgian, J.L, Powers, J.C, Grutter, M.G. | 登録日 | 2006-05-22 | 公開日 | 2007-05-22 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Exploring the S4 and S1 Prime Subsite Specificities in Caspase-3 with Aza-Peptide Epoxide Inhibitors Biochemistry, 45, 2006
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2CJY
| 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 | Ganesan, R, Mittl, P.R.E, Jelakovic, S, Grutter, M.G. | 登録日 | 2006-04-09 | 公開日 | 2006-06-27 | 最終更新日 | 2017-06-28 | 実験手法 | X-RAY DIFFRACTION (1.67 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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2FP3
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2FQQ
| Crystal structure of human caspase-1 (Cys285->Ala, Cys362->Ala, Cys364->Ala, Cys397->Ala) in complex with 1-methyl-3-trifluoromethyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (2-mercapto-ethyl)-amide | 分子名称: | 1-METHYL-3-TRIFLUOROMETHYL-1H-THIENO[2,3-C]PYRAZOLE-5-CARBOXYLIC ACID (2-MERCAPTO-ETHYL)-AMIDE, Caspase-1 | 著者 | Scheer, J.M, Wells, J.A, Romanowski, M.J. | 登録日 | 2006-01-18 | 公開日 | 2006-05-16 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | A common allosteric site and mechanism in caspases Proc.Natl.Acad.Sci.USA, 103, 2006
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5IBP
| 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
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5I9B
| 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
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5IBC
| Caspase 3 V266I | 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 | 2016-02-22 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.66 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
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2J32
| 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
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5IAR
| 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
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5I9T
| Caspase 3 V266C | 分子名称: | ACE-ASP-GLU-VAL-ASK, ACETATE 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 | 2016-02-20 | 公開日 | 2016-10-26 | 実験手法 | X-RAY DIFFRACTION (1.95 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
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5IAE
| 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
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