6V67
| Apo Structure of the De Novo PD-1 Binding Miniprotein GR918.2 | Descriptor: | PD-1 Binding Miniprotein GR918.2 | Authors: | Bick, M.J, Bryan, C.M, Baker, D, Dimaio, F, Kang, A. | Deposit date: | 2019-12-04 | Release date: | 2020-12-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Computational design of a synthetic PD-1 agonist. Proc.Natl.Acad.Sci.USA, 118, 2021
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6W2V
| Junction 23, DHR14-DHR18 | Descriptor: | Junction 23 DHR14-DHR18 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3W
| An enumerative algorithm for de novo design of proteins with diverse pocket structures | Descriptor: | DENOVO NTF2, NITRATE ION | Authors: | Bera, A.K, Basanta, B, Dimaio, F, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W2Q
| Junction 34, DHR53-DHR4 | Descriptor: | CALCIUM ION, Junction 34 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3D
| Rd1NTF2_05 with long sheet | Descriptor: | Rd1NTF2_05 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3G
| Rd1NTF2_04 with long sheet | Descriptor: | Rd1NTF2_04 | Authors: | Bick, M.J, Basanta, B, Sankaran, B, Baker, D. | Deposit date: | 2020-03-09 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | An enumerative algorithm for de novo design of proteins with diverse pocket structures. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W2W
| Junction 24, DHR14-DHR18 | Descriptor: | Junction 24 DHR14-DHR18 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W2R
| Junction 19, DHR54-DHR79 | Descriptor: | Junction 19 DHR54-DHR79 | Authors: | Bick, M.J, Brunette, T.J, Baker, D. | Deposit date: | 2020-03-08 | Release date: | 2020-04-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.344 Å) | Cite: | Modular repeat protein sculpting using rigid helical junctions. Proc.Natl.Acad.Sci.USA, 117, 2020
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6W3F
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6W40
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7UCP
| computationally designed macrocycle | Descriptor: | computationally designed cyclic peptide D8.3.p2 | Authors: | Bhardwaj, G, Baker, D, Rettie, S, Glynn, C, Sawaya, M. | Deposit date: | 2022-03-17 | Release date: | 2022-09-14 | Last modified: | 2022-09-28 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Accurate de novo design of membrane-traversing macrocycles. Cell, 185, 2022
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6WI5
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6WHO
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHQ
| Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
| Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WI3
| Histone deacetylases complex with peptide macrocycles | Descriptor: | (SHA)W(DTH)DN(DSN)(DME)(DAS)K peptide macrocycle, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WMK
| Crystal structure of beta sheet heterodimer LHD29 | Descriptor: | Beta sheet heterodimer LHD29 - Chain A, Beta sheet heterodimer LHD29 - Chain B | Authors: | Bera, A.K, Sahtoe, D.D, Kang, A, Sankaran, B, Baker, D. | Deposit date: | 2020-04-21 | Release date: | 2021-11-10 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Reconfigurable asymmetric protein assemblies through implicit negative design. Science, 375, 2022
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6X1K
| Solution NMR structure of de novo designed TMB2.3 | Descriptor: | De novo designed transmembrane beta-barrel TMB2.3 | Authors: | Liang, B, Vorobieva, A.A, Chow, C.M, Baker, D, Tamm, L.K. | Deposit date: | 2020-05-19 | Release date: | 2021-02-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | De novo design of transmembrane beta barrels. Science, 371, 2021
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3GEQ
| Structural basis for the chemical rescue of Src kinase activity | Descriptor: | 1-TERT-BUTYL-3-(4-CHLORO-PHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, Proto-oncogene tyrosine-protein kinase Src | Authors: | Muratore, K.E, Seeliger, M.A, Wang, Z, Fomina, D, Neiswinger, J, Havranek, J.J, Baker, D, Kuriyan, J, Cole, P.A. | Deposit date: | 2009-02-25 | Release date: | 2009-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Comparative analysis of mutant tyrosine kinase chemical rescue. Biochemistry, 48, 2009
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6X9Z
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6BES
| Solution structure of de novo macrocycle design11_ss | Descriptor: | (DAL)Q(DPR)(DCY)(DLY)DS(DTY)(DCY)P(DSN) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BF5
| Solution structure of de novo macrocycle design7.3a | Descriptor: | QDP(DPR)K(DTH)(DAS) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BF3
| Solution structure of de novo macrocycle design7.3a | Descriptor: | QDP(DPR)K(2TL)(DAS) | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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6BEW
| Solution structure of de novo macrocycle design7.2 | Descriptor: | (DHI)P(DAS)(DGN)(DSN)(DGL)P | Authors: | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | Deposit date: | 2017-10-25 | Release date: | 2017-12-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
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