7BPL
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![BU of 7bpl by Molmil](/molmil-images/mine/7bpl) | Solution NMR structure of NF1; de novo designed protein with a novel fold | 分子名称: | NF1 | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | 登録日 | 2020-03-23 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BPP
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![BU of 7bpp by Molmil](/molmil-images/mine/7bpp) | Solution NMR structure of NF5; de novo designed protein with a novel fold | 分子名称: | NF5 | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | 登録日 | 2020-03-23 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BPM
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![BU of 7bpm by Molmil](/molmil-images/mine/7bpm) | Solution NMR structure of NF2; de novo designed protein with a novel fold | 分子名称: | NF2 | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | 登録日 | 2020-03-23 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQD
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![BU of 7bqd by Molmil](/molmil-images/mine/7bqd) | Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold | 分子名称: | NF8 | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | 登録日 | 2020-03-24 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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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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4J29
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![BU of 4j29 by Molmil](/molmil-images/mine/4j29) | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR258. | 分子名称: | Engineered Protein OR258 | 著者 | Vorobiev, S, Su, M, Koga, R, Seetharaman, J, Koga, N, Mao, L, Xiao, R, Kohan, E, Castelllanos, J, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2013-02-04 | 公開日 | 2013-03-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Engineered Protein OR258. To be Published
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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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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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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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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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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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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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7BK2
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![BU of 7bk2 by Molmil](/molmil-images/mine/7bk2) | Crystal structure of CHK1-10pt-mutant complex with compound 44 | 分子名称: | 4-amino-7-methyl-2-({5-methyl-1-[(3R)-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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4E08
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![BU of 4e08 by Molmil](/molmil-images/mine/4e08) | |
7TN9
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![BU of 7tn9 by Molmil](/molmil-images/mine/7tn9) | Structure of the Inmazeb cocktail and resistance to escape against Ebola virus | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, GP2, ... | 著者 | Rayaprolu, V, Fulton, B, Rafique, A, Arturo, E, Williams, D, Hariharan, C, Callaway, H, Parvate, A, Schendel, S.L, Parekh, D, Hui, S, Shaffer, K, Pascal, K.E, Wloga, E, Giordano, S, Copin, R, Franklin, M, Boytz, R.M, Donahue, C, Davey, R, Baum, A, Kyratsous, C.A, Saphire, E.O. | 登録日 | 2022-01-20 | 公開日 | 2023-01-25 | 最終更新日 | 2023-02-22 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Structure of the Inmazeb cocktail and resistance to Ebola virus escape. Cell Host Microbe, 31, 2023
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7BQE
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![BU of 7bqe by Molmil](/molmil-images/mine/7bqe) | Solution NMR structure of NF3; de novo designed protein with a novel fold | 分子名称: | NF3 | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | 登録日 | 2020-03-24 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQQ
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![BU of 7bqq by Molmil](/molmil-images/mine/7bqq) | Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology | 分子名称: | Gogy | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | 登録日 | 2020-03-25 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQM
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![BU of 7bqm by Molmil](/molmil-images/mine/7bqm) | Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology | 分子名称: | Chantal | 著者 | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | 登録日 | 2020-03-25 | 公開日 | 2021-04-07 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Design of complicated all-alpha protein structures Nat.Struct.Mol.Biol., 2024
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7BQB
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![BU of 7bqb by Molmil](/molmil-images/mine/7bqb) | Solution NMR structure of NF6; de novo designed protein with a novel fold | 分子名称: | NF6 | 著者 | Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | 登録日 | 2020-03-24 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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7BQC
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![BU of 7bqc by Molmil](/molmil-images/mine/7bqc) | Solution NMR structure of NF4; de novo designed protein with a novel fold | 分子名称: | NF4 | 著者 | Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, T, Koga, N. | 登録日 | 2020-03-24 | 公開日 | 2021-03-24 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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