8FBV
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![BU of 8fbv by Molmil](/molmil-images/mine/8fbv) | Compound 7 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-30 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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7TCZ
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![BU of 7tcz by Molmil](/molmil-images/mine/7tcz) | Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor | 分子名称: | Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate | 著者 | Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S. | 登録日 | 2021-12-29 | 公開日 | 2022-01-12 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine. Cell Chem Biol, 29, 2022
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7L7G
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![BU of 7l7g by Molmil](/molmil-images/mine/7l7g) | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens (updated model of PDB ID: 6CAJ) | 分子名称: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | 著者 | Tsai, J.C, Miller-Vedam, L.E, Anand, A, Jaishankar, P, Nguyen, H.C, Wang, L, Renslo, A.R, Frost, A, Walter, P. | 登録日 | 2020-12-28 | 公開日 | 2021-03-24 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3 Å) | 主引用文献 | eIF2B conformation and assembly state regulates the integrated stress response. Elife, 10, 2021
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6CAJ
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![BU of 6caj by Molmil](/molmil-images/mine/6caj) | Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens | 分子名称: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | 著者 | Tsai, J.C, Miller-Vedam, L.E, Anand, A.A, Jaishankar, P, Nguyen, H.C, Renslo, A.R, Frost, A, Walter, P. | 登録日 | 2018-01-31 | 公開日 | 2018-04-11 | 最終更新日 | 2019-11-20 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Structure of the nucleotide exchange factor eIF2B reveals mechanism of memory-enhancing molecule. Science, 359, 2018
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8EG6
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![BU of 8eg6 by Molmil](/molmil-images/mine/8eg6) | huCaspase-6 in complex with inhibitor 2a | 分子名称: | (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | 登録日 | 2022-09-11 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8EG5
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![BU of 8eg5 by Molmil](/molmil-images/mine/8eg5) | huCaspase-6 in complex with inhibitor 3a | 分子名称: | (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ... | 著者 | Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R. | 登録日 | 2022-09-11 | 公開日 | 2023-05-10 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | 主引用文献 | Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6. J.Am.Chem.Soc., 145, 2023
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8F97
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![BU of 8f97 by Molmil](/molmil-images/mine/8f97) | Compound 5 bound to procaspase-6 | 分子名称: | 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ... | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9A
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![BU of 8f9a by Molmil](/molmil-images/mine/8f9a) | Compound 11 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F99
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![BU of 8f99 by Molmil](/molmil-images/mine/8f99) | Compound 10 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9B
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![BU of 8f9b by Molmil](/molmil-images/mine/8f9b) | Compound 19 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9C
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![BU of 8f9c by Molmil](/molmil-images/mine/8f9c) | Compound 20 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F9D
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![BU of 8f9d by Molmil](/molmil-images/mine/8f9d) | Compound 21 bound to procaspase-6 | 分子名称: | 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F98
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![BU of 8f98 by Molmil](/molmil-images/mine/8f98) | Compound 8 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F96
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![BU of 8f96 by Molmil](/molmil-images/mine/8f96) | Compound 3 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-23 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8F78
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![BU of 8f78 by Molmil](/molmil-images/mine/8f78) | Compound 1 bound to procaspase-6 | 分子名称: | 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6 | 著者 | Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R. | 登録日 | 2022-11-18 | 公開日 | 2023-12-13 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6. J.Med.Chem., 66, 2023
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8ANF
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![BU of 8anf by Molmil](/molmil-images/mine/8anf) | Small molecule stabilizer for ERalpha and 14-3-3 (1074359) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-05 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AXU
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![BU of 8axu by Molmil](/molmil-images/mine/8axu) | Small molecule stabilizer for ERalpha and 14-3-3 (1075297) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-09-01 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AOY
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![BU of 8aoy by Molmil](/molmil-images/mine/8aoy) | Small molecule stabilizer for ERalpha and 14-3-3 (1075478) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-09 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AWG
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![BU of 8awg by Molmil](/molmil-images/mine/8awg) | small molecule stabilizer for ERalpha and 14-3-3 (1074202) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]methyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-29 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AZE
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![BU of 8aze by Molmil](/molmil-images/mine/8aze) | Small molecule stabilizer for ERalpha and 14-3-3 (1075306) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide, ERalpha peptide, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-09-06 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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8AXE
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![BU of 8axe by Molmil](/molmil-images/mine/8axe) | Small molecule stabilizer for ERalpha and 14-3-3 (1074210) | 分子名称: | 14-3-3 protein sigma, 2-chloranyl-~{N}-[2-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]ethyl]ethanamide, Estrogen receptor, ... | 著者 | Konstantinidou, M, Visser, E.J, Vandenboorn, E.M.F, Sheng, C, Jaishankar, P, Overmans, M.J.A.M, Dutta, S, Neitz, J, Renslo, A, Ottmann, C, Brunsveld, L, Arkin, M. | 登録日 | 2022-08-31 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure-Based Optimization of Covalent, Small-Molecule Stabilizers of the 14-3-3 sigma /ER alpha Protein-Protein Interaction from Nonselective Fragments. J.Am.Chem.Soc., 145, 2023
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