7Q1Q
 
 | | De novo designed homo-dimeric antiparallel helices Homomer-S | | Descriptor: | ACETATE ION, Homomer-S | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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6W9Y
 | | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain proMP 1.2 | | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
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6W9Z
 | | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, De novo designed receptor transmembrane domain ProMP C2.1 | | Authors: | Call, M.J, Call, M.E, Chandler, N.J, Nguyen, J.V, Trenker, R. | | Deposit date: | 2020-03-24 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | De novo designed receptor transmembrane domains enhance CAR-T cytotoxicity and attenuate cytokine release
To Be Published
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5V2O
 | | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | | Descriptor: | 1,3,5-BENZENETRICARBOXYLIC ACID, GLYCEROL, NONAETHYLENE GLYCOL, ... | | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | | Deposit date: | 2017-03-06 | | Release date: | 2017-10-04 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5V2G
 | | De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide | | Authors: | Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F. | | Deposit date: | 2017-03-03 | | Release date: | 2017-09-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6X9Z
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7FB8
 | | De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd1 | | Descriptor: | ASP-ASP-LYS-ASP-CYS-ASP-GLU-TYR-CYS-LYS-LYS-THR-LYS-GLU-NH2, GLU-LE1-THR-GLY-HIS-ILE-GLU-GLY-PRO-THR-LE1-THR-LE1-HIS-CYS-LYS-NH2 | | Authors: | Yao, H, Yao, S, Zheng, Y, Moyer, A, Baker, D, Wu, C. | | Deposit date: | 2021-07-08 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
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7FBA
 | | De Novo-Designed and Disulfide-Bridged Peptide Heterodimer - hd2 | | Descriptor: | ALA-LE1-CYS-GLU-CYS-GLY-PRO-THR-ARG-GLU-CYS-LYS-NH2, GLU-CYS-ARG-GLU-TYR-GLY-PRO-LE1-LYS-LE1-LE1-ALA-NH2 | | Authors: | Yao, H, Yao, S, Moyer, A, Zheng, Y, Baker, D, Wu, C. | | Deposit date: | 2021-07-08 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | De novo design and directed folding of disulfide-bridged peptide heterodimers.
Nat Commun, 13, 2022
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1VRZ
 | | Helix turn helix motif | | Descriptor: | ACETATE ION, DE NOVO DESIGNED 21 RESIDUE PEPTIDE | | Authors: | Rudresh, Ramakumar, S, Ramagopal, U.A, Inai, Y, Sahal, D. | | Deposit date: | 2005-10-14 | | Release date: | 2005-11-01 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | De Novo Design and Characterization of a Helical Hairpin Eicosapeptide; Emergence of an Anion Receptor in the Linker Region.
Structure, 12, 2004
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7DKO
 | | De novo design protein AM2M | | Descriptor: | de novo designed protein AM2M | | Authors: | Bin, H. | | Deposit date: | 2020-11-25 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7DGU
 | | De novo designed protein H4A1R | | Descriptor: | de novo designed protein H4A1R | | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2020-11-12 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7DKK
 | | De novo design protein XM2H | | Descriptor: | De novo design protein XM2H | | Authors: | Bin, H. | | Deposit date: | 2020-11-24 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7DGY
 | | De novo designed protein H4C2R | | Descriptor: | de novo designed protein H4C2R | | Authors: | Xu, Y, Liao, S, Chen, Q, Liu, H. | | Deposit date: | 2020-11-12 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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6DG6
 | | Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic | | Descriptor: | Neoleukin-2/15 | | Authors: | Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-16 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
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6DG5
 | | Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ... | | Authors: | Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.516 Å) | | Cite: | De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
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8GLT
 | | Backbone model of de novo-designed chlorophyll-binding nanocage O32-15 | | Descriptor: | C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15 | | Authors: | Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G. | | Deposit date: | 2023-03-23 | | Release date: | 2024-03-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 20, 2024
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7UR7
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7UR8
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7UDJ
 | | Crystal structure of designed helical repeat protein RPB_PEW3_R4 bound to PAWx4 peptide | | Descriptor: | 4xPAW peptide, De novo designed helical repeat protein RPB_PEW3_R4 | | Authors: | Redler, R.L, Chang, Y, Bhabha, G, Ekiert, D. | | Deposit date: | 2022-03-20 | | Release date: | 2023-03-22 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | De novo design of modular peptide-binding proteins by superhelical matching.
Nature, 616, 2023
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6EIK
 | | A de novo designed heptameric coiled coil CC-Hept-I24E | | Descriptor: | CC-Hept-I24E, FORMIC ACID, GLYCEROL | | Authors: | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | | Deposit date: | 2017-09-19 | | Release date: | 2018-07-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
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7XAD
 | | Crystal strucutre of PD-L1 and DBL2_02 designed protein binder | | Descriptor: | DBL2_02 binder, Programmed cell death 1 ligand 1 | | Authors: | Liu, K.F, Xu, Z.P, Han, P, Pacesa, M, Gao, G.F, Chai, Y, Tan, S.G. | | Deposit date: | 2022-03-17 | | Release date: | 2023-04-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023
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6EIZ
 | | A de novo designed hexameric coiled coil CC-Hex2 with farnesol bound in the channel. | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, CC-Hex2 | | Authors: | Rhys, G.G, Burton, A.J, Dawson, W.M, Thomas, F, Woolfson, D.N. | | Deposit date: | 2017-09-19 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | De Novo-Designed alpha-Helical Barrels as Receptors for Small Molecules.
ACS Synth Biol, 7, 2018
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6WXO
 | | De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE | | Descriptor: | GLYCEROL, SULFATE ION, TFD-HE | | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | | Deposit date: | 2020-05-11 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WXP
 | | De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE | | Authors: | Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. | | Deposit date: | 2020-05-11 | | Release date: | 2020-11-25 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7Q1R
 | | A de novo designed homo-dimeric antiparallel coiled coil apCC-Di | | Descriptor: | ETHANOL, SODIUM ION, apCC-Di | | Authors: | Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. | | Deposit date: | 2021-10-20 | | Release date: | 2022-07-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
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