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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

6U1S

Cryo-EM structure of a de novo designed 16-helix transmembrane nanopore, TMHC8_R.
Descriptor:	de novo designed 16-helix transmembrane nanopore, TMHC8_R
Authors:	Johnson, M.J, Reggiano, G, Xu, C, Lu, P, Hsia, Y, Brunette, T.J, DiMaio, F, Baker, D, Kollman, J.
Deposit date:	2019-08-16
Release date:	2020-08-19
Last modified:	2024-03-20
Method:	ELECTRON MICROSCOPY (7.6 Å)
Cite:	Computational Design of Transmembrane Channels To Be Published

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

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

6XSS

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

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

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

8CUN

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:	2022-05-17
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

8CWA

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor:	Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:	Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:	2022-05-18
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

8CTO

Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT 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:	2022-05-16
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

8CUX

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	R3-1 Chain B
Authors:	Bera, A.K, Natterman, U, Baker, D.
Deposit date:	2022-05-17
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (1.85 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CUV

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	F4132-1 chain A, F4132-1 chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-17
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.8 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CUT

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	I432-1(Imd) Chain A, I432-1(Imd) Chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-17
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (4 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CUS

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	I432-1(NaCl) Chain A, I432-1(NaCl) Chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-17
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (3.98 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CWZ

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	I432-1-X3 Chain A, I432-1-X3 Chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-19
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (5.53 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CUU

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	F4132-1-0 chain A, F4132-1-0 chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-17
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (2.91 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CWY

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	T32-15-1, T32-15-2
Authors:	Li, Z, Borst, A.J, Baker, D.
Deposit date:	2022-05-19
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	ELECTRON MICROSCOPY (3.34 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CWS

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	F4132-2 Chain A, F4132-2 Chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-19
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (4.4 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

8CUW

Accurate computational design of genetically encoded 3D protein crystals
Descriptor:	F4132-1-3 Chain A, F4132-1-3 Chain B
Authors:	Bera, A.K, Li, Z, Baker, D.
Deposit date:	2022-05-17
Release date:	2023-11-01
Last modified:	2023-12-20
Method:	X-RAY DIFFRACTION (3.55 Å)
Cite:	Accurate computational design of three-dimensional protein crystals. Nat Mater, 22, 2023

7UBD

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

7UBC

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

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

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

7UBE

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

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

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