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6DMP
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BU of 6dmp by Molmil
De Novo Design of a Protein Heterodimer with Specificity Mediated by Hydrogen Bond Networks
Descriptor: Designed orthogonal protein DHD13_XAAA_A, Designed orthogonal protein DHD13_XAAA_B
Authors:Chen, Z, Flores-Solis, D, Sgourakis, N.G, Baker, D.
Deposit date:2018-06-05
Release date:2018-12-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Programmable design of orthogonal protein heterodimers.
Nature, 565, 2019
7KXS
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BU of 7kxs by Molmil
Computational design of constitutively active cGAS
Descriptor: Cyclic GMP-AMP synthase, ZINC ION
Authors:Dowling, Q, Volkman, H.E, Gray, E.E, Ovchinnikov, S, Cambier, S, Bera, A.K, Bick, M, Kang, A, Stetson, D.B, King, N.P.
Deposit date:2020-12-04
Release date:2021-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Computational design of constitutively active cGAS.
Nat.Struct.Mol.Biol., 30, 2023
6XSS
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BU of 6xss by Molmil
CryoEM structure of designed helical fusion protein C4_nat_HFuse-7900
Descriptor: C4_nat_HFuse-7900
Authors:Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
Deposit date:2020-07-16
Release date:2020-12-23
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XI6
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BU of 6xi6 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Shankaran, B, Baker, D.
Deposit date:2020-06-19
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6XH5
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BU of 6xh5 by Molmil
Hierarchical design of multi-scale protein complexes by combinatorial assembly of oligomeric helical bundle and repeat protein building blocks
Descriptor: helical fusion design
Authors:Bera, A.K, Hsia, Y, Kang, A.S, Baker, D.
Deposit date:2020-06-18
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Design of multi-scale protein complexes by hierarchical building block fusion.
Nat Commun, 12, 2021
6TMS
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BU of 6tms by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
Descriptor: SULFATE ION, a novel designed pore protein, affinity purification tag
Authors:Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
Deposit date:2019-12-05
Release date:2020-04-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Computational design of transmembrane pores.
Nature, 585, 2020
6TJ1
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BU of 6tj1 by Molmil
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
6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
Descriptor: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
8FAR
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BU of 8far by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: I432-1-CC
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-11-28
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.66 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8GAA
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BU of 8gaa by Molmil
C6HR1_4r: Extendable repeat protein hexamer
Descriptor: C6HR1_4r
Authors:Bethel, N.P, Borst, A.J, Baker, D.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8G8I
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BU of 8g8i by Molmil
C3HR3_9r_shift4: Extendable repeat protein fiber
Descriptor: C3HR3_9r_shift4
Authors:Bethel, N.P, Borst, A.J.
Deposit date:2023-02-17
Release date:2023-08-30
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8GA9
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BU of 8ga9 by Molmil
C4HR1_4r: Extendable repeat protein tetramer
Descriptor: C4HR1_4r
Authors:Bethel, N.P, Borst, A.J.
Deposit date:2023-02-22
Release date:2023-08-30
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
8GAQ
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BU of 8gaq by Molmil
C5HR2_4r: Extendable repeat protein pentamer
Descriptor: C5HR2_4r
Authors:Bethel, N.P, Borst, A.J.
Deposit date:2023-02-23
Release date:2023-08-30
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Precisely patterned nanofibres made from extendable protein multiplexes.
Nat.Chem., 15, 2023
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-09
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBD
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BU of 7ubd by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (A-CC conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UCP
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BU of 7ucp by Molmil
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
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBH
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BU of 7ubh by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in CDCl3 with cis/trans switching
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022

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