7N3T
 
 | | TrkA ECD complex with designed miniprotein ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jude, K.M, Cao, L, Garcia, K.C. | | Deposit date: | 2021-06-01 | | Release date: | 2022-04-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
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6Q4Q
 | | The Crystal structure of CK2a bound to P2-C4 | | Descriptor: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, ACETATE ION, BENZOIC ACID, ... | | Authors: | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | | Deposit date: | 2018-12-06 | | Release date: | 2019-04-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
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6Q38
 | | The Crystal structure of CK2a bound to P1-C4 | | Descriptor: | 3,5-bis(1-methyl-1,2,3-triazol-4-yl)benzoic acid, BENZOIC ACID, Casein kinase II subunit alpha, ... | | Authors: | Brear, P, Iegre, J, Baker, D, Tan, Y, Sore, H, Donovan, D, Spring, D, Chandra, V, Hyvonen, M. | | Deposit date: | 2018-12-03 | | Release date: | 2019-04-24 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Efficient development of stable and highly functionalised peptides targeting the CK2 alpha /CK2 beta protein-protein interaction.
Chem Sci, 10, 2019
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6NYE
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6NZ1
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6NY8
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6NXM
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6NZ3
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6NX2
 | | Crystal structure of computationally designed protein AAA | | Descriptor: | BROMIDE ION, Design construct AAA | | Authors: | Wei, K.Y, Bick, M.J. | | Deposit date: | 2019-02-07 | | Release date: | 2020-04-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6NYI
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6NYK
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9QT6
 | | Crystal structure of HPK1 T165E/S171E in complex with pyrazine carboxamide inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 3-[(1,3-dimethylpyrazol-4-yl)amino]-5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Schimpl, M. | | Deposit date: | 2025-04-08 | | Release date: | 2025-05-28 | | Last modified: | 2025-07-09 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery and Optimization of Pyrazine Carboxamide AZ3246, a Selective HPK1 Inhibitor.
J.Med.Chem., 68, 2025
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6YQY
 | | Crystal structure of sTIM11noCys, a de novo designed TIM barrel | | Descriptor: | de novo designed TIM barrel sTIM11noCys | | Authors: | Romero-Romero, S, Wiese, G.J, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | | Deposit date: | 2020-04-18 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.876 Å) | | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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6YQX
 | | Crystal structure of DeNovoTIM13, a de novo designed TIM barrel | | Descriptor: | CHLORIDE ION, GLYCEROL, de novo designed TIM barrel DeNovoTIM13 | | Authors: | Romero-Romero, S, Kordes, S, Shanmugaratnam, S, Fernandez-Velasco, D.A, Hocker, B. | | Deposit date: | 2020-04-18 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.638 Å) | | Cite: | The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach.
J.Mol.Biol., 433, 2021
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6BEN
 | | Solution structure of de novo macrocycle design8.2 | | Descriptor: | (DAR)Q(DPR)(DGN)R(DGL)PQ | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. | | Deposit date: | 2017-10-25 | | Release date: | 2017-12-27 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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6BE9
 | | Solution structure of de novo macrocycle design7.1 | | Descriptor: | T(DLY)NDT(DSG)(DPR) | | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. | | Deposit date: | 2017-10-24 | | Release date: | 2017-12-27 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Comprehensive computational design of ordered peptide macrocycles.
Science, 358, 2017
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8OYS
 | | De novo designed TIM barrel fold TBF_24 | | Descriptor: | CHLORIDE ION, De novo designed TIM-barrel | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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8OYV
 | | De novo designed Claudin fold CLF_4 | | Descriptor: | De novo designed soluble Claudin | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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8OYY
 | | De novo designed soluble GPCR-like fold GLF_32 | | Descriptor: | CHLORIDE ION, De novo designed soluble GPCR-like protein, POTASSIUM ION | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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8OYX
 | | De novo designed soluble GPCR-like fold GLF_18 | | Descriptor: | De novo designed soluble GPCR-like protein, PHOSPHATE ION | | Authors: | Pacesa, M, Correia, B.E. | | Deposit date: | 2023-05-05 | | Release date: | 2023-10-18 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Computational design of soluble and functional membrane protein analogues.
Nature, 631, 2024
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8OYW
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8V2D
 | | Computational Designed Nanocage O43_129 | | Descriptor: | O43_129 component A, O43_129 component B | | Authors: | Weidle, C, Kibler, R.D. | | Deposit date: | 2023-11-22 | | Release date: | 2024-03-13 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (6.77 Å) | | Cite: | Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
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8V3B
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5CWJ
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5CWP
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