1ABZ
 
 | | ALPHA-T-ALPHA, A DE NOVO DESIGNED PEPTIDE, NMR, 23 STRUCTURES | | Descriptor: | ALPHA-T-ALPHA | | Authors: | Fezoui, Y, Connolly, P.J, Osterhout, J.J. | | Deposit date: | 1997-01-31 | | Release date: | 1998-02-04 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of alpha t alpha, a helical hairpin peptide of de novo design.
Protein Sci., 6, 1997
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7EKJ
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5TPH
 | | Crystal structure of a de novo designed protein homodimer with curved beta-sheet | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, de novo NTF2 homodimer | | Authors: | Basanta, B, Marcos, E, Oberdorfer, G, Chidyausiku, T.M, Sankaran, B, Baker, D. | | Deposit date: | 2016-10-20 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5U35
 | | Crystal structure of a de novo designed protein with curved beta-sheet | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ... | | Authors: | Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D. | | Deposit date: | 2016-12-01 | | Release date: | 2017-01-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
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5EOJ
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6WRX
 | | Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
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6WRV
 | | Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ... | | Authors: | Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7A1T
 | | A collapsed hexameric state of a de novo coiled-coil assembly: CC-Type2-(GgLaId)4-W19BrPhe. | | Descriptor: | ACETATE ION, CADMIUM ION, CC-Type2-(GgLaId)4-W19BrPhe, ... | | Authors: | Rhys, G.G, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-08-14 | | Release date: | 2021-05-19 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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6YPI
 | | Structure of the engineered metallo-Diels-Alderase DA7 W16G,K58Q,L77R,T78R | | Descriptor: | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE, BENZOIC ACID, DA7 W16G,K58Q,L77R,T78R, ... | | Authors: | Basler, S, Mori, T, Hilvert, D. | | Deposit date: | 2020-04-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Nat.Chem., 13, 2021
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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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7BWW
 | | Structure of the engineered metallo-Diels-Alderase DA7 W16S | | Descriptor: | ACETIC ACID, BENZOIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Basler, S, Mori, T, Hilvert, D. | | Deposit date: | 2020-04-16 | | Release date: | 2021-04-21 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Efficient Lewis acid catalysis of an abiological reaction in a de novo protein scaffold.
Nat.Chem., 13, 2021
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7BAT
 | | A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4 | | Descriptor: | CC-Type2-(GgIaId)4, N-PROPANOL | | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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7BAS
 | | A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe. | | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe. | | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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7BAU
 | | A de novo pentameric coiled-coil assembly: CC-Type2-(TgIaId)4-W19BrPhe. | | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe. | | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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7BAV
 | | A de novo pentameric coiled-coil assembly: CC-Type2-(TgLaId)4-W19BrPhe. | | Descriptor: | CC-Type2-(TgLaId)4-W19BrPhe | | Authors: | Martin, F.J.O, Dawson, W.M, Shelley, K, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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7BAW
 | | A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(GgIaId)4 | | Descriptor: | CC-Type2-(GgIaId)4, GLYCEROL, N-PROPANOL | | Authors: | Martin, F.J.O, Dawson, W.M, Brady, R.L, Woolfson, D.N. | | Deposit date: | 2020-12-16 | | Release date: | 2021-04-28 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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5D9D
 | | Luciferin-regenerating enzyme solved by SAD using synchrotron radiation at room temperature | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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5D9B
 | | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against native data) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION | | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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3R4H
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5D9C
 | | Luciferin-regenerating enzyme solved by SIRAS using XFEL (refined against Hg derivative data) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Luciferin regenerating enzyme, MAGNESIUM ION, ... | | Authors: | Yamashita, K, Pan, D, Okuda, T, Murai, T, Kodan, A, Yamaguchi, T, Gomi, K, Kajiyama, N, Kato, H, Ago, H, Yamamoto, M, Nakatsu, T. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An isomorphous replacement method for efficient de novo phasing for serial femtosecond crystallography.
Sci Rep, 5, 2015
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6WRW
 | | Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ... | | Authors: | Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L. | | Deposit date: | 2020-04-30 | | Release date: | 2021-04-28 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
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5KWX
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3Q9U
 | | In silico and in vitro co-evolution of a high affinity complementary protein-protein interface | | Descriptor: | COENZYME A, CoA binding protein, consensus ankyrin repeat | | Authors: | Karanicolas, J, Corn, J.E, Chen, I, Joachimiak, L.A, Dym, O, Chung, S, Albeck, S, Unger, T, Hu, W, Liu, G, Delbecq, S, Montelione, G.T, Spiegel, C, Liu, D, Baker, D, Israel Structural Proteomics Center (ISPC) | | Deposit date: | 2011-01-10 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A de novo protein binding pair by computational design and directed evolution.
Mol.Cell, 42, 2011
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5KWO
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5KX2
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