7XSJ
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![BU of 7xsj by Molmil](/molmil-images/mine/7xsj) | The structure of the Mint1/Munc18-1/syntaxin-1 complex | 分子名称: | Amyloid-beta A4 precursor protein-binding family A member 1, Syntaxin-1A, Syntaxin-binding protein 1 | 著者 | Feng, W, Li, W. | 登録日 | 2022-05-14 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | A non-canonical target-binding site in Munc18-1 domain 3b for assembling the Mint1-Munc18-1-syntaxin-1 complex. Structure, 31, 2023
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7VZT
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![BU of 7vzt by Molmil](/molmil-images/mine/7vzt) | A human neutralizing antibody targeting SARS-CoV-2 RBD | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GH12-Heavy, GH12-LIGHT, ... | 著者 | Wang, F.Z, Wang, Y, Tan, X.W, Shi, R, Yan, J.H. | 登録日 | 2021-11-16 | 公開日 | 2023-05-31 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.41 Å) | 主引用文献 | GH12, glycosylation function To Be Published
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6KZI
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![BU of 6kzi by Molmil](/molmil-images/mine/6kzi) | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | 分子名称: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | 著者 | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | 登録日 | 2019-09-24 | 公開日 | 2020-03-04 | 最終更新日 | 2021-03-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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7BYL
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![BU of 7byl by Molmil](/molmil-images/mine/7byl) | Cryo-EM structure of human KCNQ4 | 分子名称: | Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, POTASSIUM ION, ... | 著者 | Shen, H, Li, T, Yue, Z. | 登録日 | 2020-04-23 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | 主引用文献 | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs. Mol.Cell, 81, 2021
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7BYN
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![BU of 7byn by Molmil](/molmil-images/mine/7byn) | Cryo-EM structure of human KCNQ4 with linopirdine | 分子名称: | 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one, Calmodulin-3, Green fluorescent protein,Potassium voltage-gated channel subfamily KQT member 4, ... | 著者 | Shen, H, Li, T, Yue, Z. | 登録日 | 2020-04-23 | 公開日 | 2020-12-02 | 最終更新日 | 2024-03-27 | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | 主引用文献 | Structural Basis for the Modulation of Human KCNQ4 by Small-Molecule Drugs. Mol.Cell, 81, 2021
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7BH8
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![BU of 7bh8 by Molmil](/molmil-images/mine/7bh8) | 3H4-Fab HLA-E-VL9 co-complex | 分子名称: | 3H4 Fab heavy chain, 3H4 Fab light chain, Beta-2-microglobulin, ... | 著者 | Walters, L.C, Rozbesky, D. | 登録日 | 2021-01-10 | 公開日 | 2022-04-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Mouse and human antibodies bind HLA-E-leader peptide complexes and enhance NK cell cytotoxicity. Commun Biol, 5, 2022
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6JQF
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![BU of 6jqf by Molmil](/molmil-images/mine/6jqf) | |
7CCE
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![BU of 7cce by Molmil](/molmil-images/mine/7cce) | |
7CC9
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![BU of 7cc9 by Molmil](/molmil-images/mine/7cc9) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | 分子名称: | ACETATE ION, DNA (5'-D(*GP*GP*CP*GP*GS*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*CP*GP*CP*C)-3'), ... | 著者 | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | 登録日 | 2020-06-16 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.063 Å) | 主引用文献 | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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7CCJ
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![BU of 7ccj by Molmil](/molmil-images/mine/7ccj) | Sulfur binding domain of SprMcrA complexed with phosphorothioated DNA | 分子名称: | DNA (5'-D(*GP*GP*AP*TP*CP*AP*TP*C)-3'), HNHc domain-containing protein | 著者 | Yu, H, Zhao, G, Gan, J, Liu, G, Wu, G, He, X. | 登録日 | 2020-06-17 | 公開日 | 2020-07-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | DNA backbone interactions impact the sequence specificity of DNA sulfur-binding domains: revelations from structural analyses. Nucleic Acids Res., 48, 2020
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7CR5
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![BU of 7cr5 by Molmil](/molmil-images/mine/7cr5) | |
6LB8
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![BU of 6lb8 by Molmil](/molmil-images/mine/6lb8) | Crystal structure of the Ca2+-free T4L-MICU1-MICU2 complex | 分子名称: | Calcium uptake protein 2, mitochondrial, Endolysin,Calcium uptake protein 1 | 著者 | Wu, W, Shen, Q, Zheng, J, Jia, Z. | 登録日 | 2019-11-13 | 公開日 | 2020-07-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.283 Å) | 主引用文献 | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter. Embo J., 39, 2020
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6LB7
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![BU of 6lb7 by Molmil](/molmil-images/mine/6lb7) | Crystal structure of the Ca2+-free and Ca2+-bound MICU1-MICU2 complex | 分子名称: | CALCIUM ION, Calcium uptake protein 1, mitochondrial, ... | 著者 | Wu, W, Shen, Q, Zheng, J, Jia, Z. | 登録日 | 2019-11-13 | 公開日 | 2020-07-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.101 Å) | 主引用文献 | The structure of the MICU1-MICU2 complex unveils the regulation of the mitochondrial calcium uniporter. Embo J., 39, 2020
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7BJD
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![BU of 7bjd by Molmil](/molmil-images/mine/7bjd) | Crystal structure of CHK1-10pt-mutant complex with compound 3 | 分子名称: | 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJH
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![BU of 7bjh by Molmil](/molmil-images/mine/7bjh) | Crystal structure of CHK1-10pt-mutant complex with compound 8 | 分子名称: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJM
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![BU of 7bjm by Molmil](/molmil-images/mine/7bjm) | Crystal structure of CHK1-10pt-mutant complex with compound 10 | 分子名称: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJR
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![BU of 7bjr by Molmil](/molmil-images/mine/7bjr) | Crystal structure of CHK1-10pt-mutant complex with compound 18 | 分子名称: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJX
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![BU of 7bjx by Molmil](/molmil-images/mine/7bjx) | Crystal structure of CHK1-10pt-mutant complex with compound 26 | 分子名称: | 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJJ
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![BU of 7bjj by Molmil](/molmil-images/mine/7bjj) | Crystal structure of CHK1-10pt-mutant complex with compound 9 | 分子名称: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BK3
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![BU of 7bk3 by Molmil](/molmil-images/mine/7bk3) | Crystal structure of CHK1-10pt-mutant complex with compound 45 | 分子名称: | 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-15 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJO
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![BU of 7bjo by Molmil](/molmil-images/mine/7bjo) | Crystal structure of CHK1-10pt-mutant complex with compound 13 | 分子名称: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BKO
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![BU of 7bko by Molmil](/molmil-images/mine/7bko) | Crystal structure of CHK1 complex with compound 9 | 分子名称: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase Chk1 | 著者 | Baker, L.M, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-16 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BJE
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![BU of 7bje by Molmil](/molmil-images/mine/7bje) | Crystal structure of CHK1-10pt-mutant complex with adenine | 分子名称: | ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-14 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BK1
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![BU of 7bk1 by Molmil](/molmil-images/mine/7bk1) | Crystal structure of CHK1-10pt-mutant complex with compound 32 | 分子名称: | 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | 著者 | Dokurno, P, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-15 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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7BKN
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![BU of 7bkn by Molmil](/molmil-images/mine/7bkn) | Crystal structure of CHK1 complex with adenine | 分子名称: | ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1 | 著者 | Baker, L.M, Surgenor, A.E, Williamson, D.S. | 登録日 | 2021-01-16 | 公開日 | 2021-07-07 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. J.Med.Chem., 64, 2021
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