7FBD
 
 | | De novo design protein D53 with MBP tag | | Descriptor: | Maltodextrin-binding protein,De novo design protein D53 | | Authors: | Bin, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7FBC
 | | De novo design protein D22 with MBP tag | | Descriptor: | Maltodextrin-binding protein,De novo design protein D22 | | Authors: | Bin, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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7FBB
 | | De novo design protein D12 with MBP tag | | Descriptor: | Maltodextrin-binding protein,de novo designed protein D12 | | Authors: | Bin, H. | | Deposit date: | 2021-07-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.307 Å) | | Cite: | A backbone-centred energy function of neural networks for protein design.
Nature, 602, 2022
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6VFK
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4QKR
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8UMP
 | | T33-ml35 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2023-11-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UF0
 | | T33-ml23 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-03 | | Release date: | 2023-11-15 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.02 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UI2
 | | T33-ml28 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml28-redesigned-CutA-fold, T33-ml28-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-09 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.73 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UKM
 | | T33-ml30 - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml30-redesigned-4-OT-fold, T33-ml30-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-14 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UN1
 | | T33-ml23 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml23-redesigned-CutA-fold, T33-ml23-redesigned-tandem-BMC-T-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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8UMR
 | | T33-ml35 Assembly Intermediate - Designed Tetrahedral Protein Cage Using Machine Learning Algorithms | | Descriptor: | T33-ml35-redesigned-CutA-fold, T33-ml35-redesigned-TPR-domain-fold | | Authors: | Castells-Graells, R, Meador, K, Sawaya, M.R, Yeates, T.O. | | Deposit date: | 2023-10-18 | | Release date: | 2024-03-06 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.42 Å) | | Cite: | A suite of designed protein cages using machine learning and protein fragment-based protocols.
Structure, 32, 2024
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2GJF
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2HZ8
 | | QM/MM structure refined from NMR-structure of a single chain diiron protein | | Descriptor: | De novo designed diiron protein, ZINC ION | | Authors: | Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F. | | Deposit date: | 2006-08-08 | | Release date: | 2007-07-17 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
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7DMF
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4ETK
 | | Crystal Structure of E6A/L130D/A155H variant of de novo designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR186 | | Descriptor: | De novo designed serine hydrolase, SODIUM ION | | Authors: | Kuzin, A, Su, M, Seetharaman, J, Kornhaber, K, Kornhaber, G, Rajagopalan, S, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-04-24 | | Release date: | 2012-06-13 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design of activated serine-containing catalytic triads with atomic-level accuracy.
Nat.Chem.Biol., 10, 2014
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2N8W
 | | Solution NMR Structure of Designed Protein DA05R1, Northeast Structural Genomics Consortium (NESG) Target OR690 | | Descriptor: | Designed Protein DA05R1 | | Authors: | Eletsky, A, Federizon, J.F, Xu, X, Pulavarti, S, Jacobs, T.M, Kuhlman, B, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-10-27 | | Release date: | 2015-11-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design of structurally distinct proteins using strategies inspired by evolution.
Science, 352, 2016
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2N8I
 | | Solution NMR Structure of Designed Protein DA05, Northeast Structural Genomics Consortium (NESG) Target OR626 | | Descriptor: | Designed Protein DA05 | | Authors: | Xu, X, Eletsky, A, Federizon, J.F, Jacobs, T.M, Kuhlman, B, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-10-15 | | Release date: | 2016-01-20 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Design of structurally distinct proteins using strategies inspired by evolution.
Science, 352, 2016
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2LN3
 | | Solution NMR Structure of DE NOVO DESIGNED PROTEIN, IF3-like fold, Northeast Structural Genomics Consortium Target OR135 (CASD target) | | Descriptor: | DE NOVO DESIGNED PROTEIN OR135 | | Authors: | Liu, G, Koga, R, Koga, N, Xiao, R, Lee, H, Janjua, H, Kohan, E, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-12-15 | | Release date: | 2012-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Principles for designing ideal protein structures.
Nature, 491, 2012
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5VLI
 | | Computationally designed inhibitor peptide HB1.6928.2.3 in complex with influenza hemagglutinin (A/PuertoRico/8/1934) | | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bernard, S.M, Wilson, I.A. | | Deposit date: | 2017-04-25 | | Release date: | 2017-09-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.799 Å) | | Cite: | Massively parallel de novo protein design for targeted therapeutics.
Nature, 550, 2017
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5U9U
 | | De Novo Three-stranded Coiled Coil Peptide Containing a Tris-thiolate Site Engineered by D-Cysteine Ligands | | Descriptor: | Apo-(CoilSer L16(DCY))3, CHLORIDE ION, POLYETHYLENE GLYCOL (N=34), ... | | Authors: | Ruckthong, L, Stuckey, J.A, Pecoraro, V.L. | | Deposit date: | 2016-12-18 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | d-Cysteine Ligands Control Metal Geometries within De Novo Designed Three-Stranded Coiled Coils.
Chemistry, 23, 2017
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5J9F
 | | Human GAR transformylase in complex with GAR and (4-{[2-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzoyl)-L-glutamic acid (AGF183) | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Wong, J, Deis, S.M, Dann III, C.E. | | Deposit date: | 2016-04-09 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
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2GJH
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6O35
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6TJ1
 | | Crystal structure of a de novo designed hexameric helical-bundle protein | | Descriptor: | De novo designed WSHC6, purification tag | | Authors: | Xu, C, Pei, X.Y, Luisi, B.F, Baker, D. | | Deposit date: | 2019-11-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Computational design of transmembrane pores.
Nature, 585, 2020
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5NNN
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