2C2Z
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![BU of 2c2z by Molmil](/molmil-images/mine/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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2C2K
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![BU of 2c2k by Molmil](/molmil-images/mine/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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2CNO
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![BU of 2cno by Molmil](/molmil-images/mine/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
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![BU of 2cdr by Molmil](/molmil-images/mine/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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2CNN
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![BU of 2cnn by Molmil](/molmil-images/mine/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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2CNL
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![BU of 2cnl by Molmil](/molmil-images/mine/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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2CNK
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![BU of 2cnk by Molmil](/molmil-images/mine/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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5T31
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![BU of 5t31 by Molmil](/molmil-images/mine/5t31) | Exploiting an Asp-Glu switch in Glycogen Synthase Kinase 3 to design paralog selective inhibitors for use in acute myeloid leukemia | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Stein, A.J, Holson, E.B, Wagner, F.F, Cambell, A.J. | 登録日 | 2016-08-24 | 公開日 | 2018-02-21 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5KPM
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![BU of 5kpm by Molmil](/molmil-images/mine/5kpm) | Glycogen Synthase Kinase 3 beta Complexed with BRD3731 | 分子名称: | (4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5KPL
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![BU of 5kpl by Molmil](/molmil-images/mine/5kpl) | Glycogen Synthase Kinase 3 beta Complexed with BRD0705 | 分子名称: | (4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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5KPK
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![BU of 5kpk by Molmil](/molmil-images/mine/5kpk) | Glycogen Synthase Kinase 3 beta Complexed with BRD0209 | 分子名称: | (4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | Lakshminarasimhan, D, White, A, Nadupalli, A, Suto, R.K. | 登録日 | 2016-07-04 | 公開日 | 2018-03-14 | 最終更新日 | 2018-03-21 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Exploiting an Asp-Glu "switch" in glycogen synthase kinase 3 to design paralog-selective inhibitors for use in acute myeloid leukemia. Sci Transl Med, 10, 2018
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2C2M
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![BU of 2c2m by Molmil](/molmil-images/mine/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
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![BU of 2c2o by Molmil](/molmil-images/mine/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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5HLN
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![BU of 5hln by Molmil](/molmil-images/mine/5hln) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH CHIR99021 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHIR99021, Glycogen synthase kinase-3 beta, ... | 著者 | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | 登録日 | 2016-01-15 | 公開日 | 2016-05-25 | 最終更新日 | 2016-07-27 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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5HLP
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![BU of 5hlp by Molmil](/molmil-images/mine/5hlp) | X-RAY CRYSTAL STRUCTURE OF GSK3B IN COMPLEX WITH BRD3937 | 分子名称: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one, Glycogen synthase kinase-3 beta | 著者 | White, A, Lakshminarasimhan, D, Nadupalli, A, Suto, R.K. | 登録日 | 2016-01-15 | 公開日 | 2016-05-25 | 最終更新日 | 2016-07-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Inhibitors of Glycogen Synthase Kinase 3 with Exquisite Kinome-Wide Selectivity and Their Functional Effects. Acs Chem.Biol., 11, 2016
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5IWG
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![BU of 5iwg by Molmil](/molmil-images/mine/5iwg) | HDAC2 WITH LIGAND BRD4884 | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Steinbacher, S. | 登録日 | 2016-03-22 | 公開日 | 2016-08-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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5IX0
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![BU of 5ix0 by Molmil](/molmil-images/mine/5ix0) | HDAC2 WITH LIGAND BRD7232 | 分子名称: | (3-exo)-N-(4-amino-4'-fluoro[1,1'-biphenyl]-3-yl)-8-oxabicyclo[3.2.1]octane-3-carboxamide, 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ... | 著者 | Steinbacher, S. | 登録日 | 2016-03-23 | 公開日 | 2016-08-31 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Kinetic and structural insights into the binding of histone deacetylase 1 and 2 (HDAC1, 2) inhibitors. Bioorg.Med.Chem., 24, 2016
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7M05
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![BU of 7m05 by Molmil](/molmil-images/mine/7m05) | |
4L7S
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![BU of 4l7s by Molmil](/molmil-images/mine/4l7s) | Kinase domain mutant of human Itk in complex with an aminobenzothiazole inhibitor | 分子名称: | SULFATE ION, Tyrosine-protein kinase ITK/TSK, trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol | 著者 | Somers, D.O. | 登録日 | 2013-06-14 | 公開日 | 2014-01-22 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett, 4, 2013
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6V0P
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![BU of 6v0p by Molmil](/molmil-images/mine/6v0p) | |
2C1E
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![BU of 2c1e by Molmil](/molmil-images/mine/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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