7BPL
 
 | | Solution NMR structure of NF1; de novo designed protein with a novel fold | | Descriptor: | NF1 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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7BPP
 | | Solution NMR structure of NF5; de novo designed protein with a novel fold | | Descriptor: | NF5 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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7BPM
 | | Solution NMR structure of NF2; de novo designed protein with a novel fold | | Descriptor: | NF2 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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7BQD
 | | Solution NMR structure of NF8 (knot fold); de novo designed protein with a novel fold | | Descriptor: | NF8 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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7BJD
 | | Crystal structure of CHK1-10pt-mutant complex with compound 3 | | Descriptor: | 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 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 8 | | Descriptor: | CHLORIDE ION, N,N-dimethyl-7H-purin-6-amine, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR258. | | Descriptor: | Engineered Protein OR258 | | Authors: | 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) | | Deposit date: | 2013-02-04 | | Release date: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Engineered Protein OR258.
To be Published
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7BJM
 | | Crystal structure of CHK1-10pt-mutant complex with compound 10 | | Descriptor: | 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 45 | | Descriptor: | 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 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-15 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 18 | | Descriptor: | 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
 | | Crystal structure of CHK1 complex with compound 9 | | Descriptor: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, Serine/threonine-protein kinase Chk1 | | Authors: | Baker, L.M, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-16 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 26 | | Descriptor: | 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 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 9 | | Descriptor: | 1H-pyrazolo[3,4-d]pyrimidin-4-amine, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 13 | | Descriptor: | 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with adenine | | Descriptor: | ADENINE, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-14 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 32 | | Descriptor: | 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 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-15 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
 | | Crystal structure of CHK1 complex with adenine | | Descriptor: | ADENINE, SULFATE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Baker, L.M, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-16 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | 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
 | | Crystal structure of CHK1-10pt-mutant complex with compound 44 | | Descriptor: | 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 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-15 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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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7TN9
 | | Structure of the Inmazeb cocktail and resistance to escape against Ebola virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, GP2, ... | | Authors: | 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. | | Deposit date: | 2022-01-20 | | Release date: | 2023-01-25 | | Last modified: | 2023-02-22 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure of the Inmazeb cocktail and resistance to Ebola virus escape.
Cell Host Microbe, 31, 2023
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7BQE
 | | Solution NMR structure of NF3; de novo designed protein with a novel fold | | Descriptor: | NF3 | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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7BQQ
 | | Solution NMR structure of fold-Z Gogy; de novo designed protein with an asymmetric all-alpha topology | | Descriptor: | Gogy | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | | Deposit date: | 2020-03-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
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7BQM
 | | Solution NMR structure of fold-0 Chantal; de novo designed protein with an asymmetric all-alpha topology | | Descriptor: | Chantal | | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Sakuma, K, Kosugi, T, Koga, R, Koga, N. | | Deposit date: | 2020-03-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design of complicated all-alpha protein structures
Nat.Struct.Mol.Biol., 2024
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7BQB
 | | Solution NMR structure of NF6; de novo designed protein with a novel fold | | Descriptor: | NF6 | | Authors: | Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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7BQC
 | | Solution NMR structure of NF4; de novo designed protein with a novel fold | | Descriptor: | NF4 | | Authors: | Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, T, Koga, N. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Exploration of novel alpha-beta-protein folds through de novo design
Nat.Struct.Mol.Biol., 2023
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