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8FBK
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BU of 8fbk by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_65
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBN
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BU of 8fbn by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_73
Authors:Wang, J.Y, Khmelinskaia, A, Bera, A.K, King, N.P.
Deposit date:2022-11-29
Release date:2023-03-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
7UNI
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BU of 7uni by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester, SP2-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, PHOSPHATE ION, SP2-ZnPPaM designed chlorophyll dimer protein, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNJ
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BU of 7unj by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM
Descriptor: 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ...
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
7UNH
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BU of 7unh by Molmil
De novo designed chlorophyll dimer protein in apo state, SP2
Descriptor: 1,2-ETHANEDIOL, SP2 designed chlorophyll dimer protein
Authors:Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
Deposit date:2022-04-11
Release date:2023-04-19
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
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:2024-10-30
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
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
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:2024-10-16
Method:SOLUTION NMR
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
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:2024-10-30
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
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
8SZZ
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BU of 8szz by Molmil
CryoEM Structure of Computationally Designed Nanocage O32-ZL4
Descriptor: O32-ZL4 Component A, O32-ZL4 Component B, SODIUM ION
Authors:Weidle, C, Borst, A.
Deposit date:2023-05-30
Release date:2023-11-01
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
7UDJ
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BU of 7udj by Molmil
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
2LAF
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BU of 2laf by Molmil
NMR solution structure of the N-terminal domain of the E. coli lipoprotein BamC
Descriptor: Lipoprotein 34
Authors:Pardi, A, Warner, L.
Deposit date:2011-03-11
Release date:2011-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the BamC Two-Domain Protein Obtained by Rosetta with a Limited NMR Data Set.
J.Mol.Biol., 411, 2011
7KNA
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BU of 7kna by Molmil
Localized reconstruction of the H1 A/Michigan/45/2015 ectodomain displayed at the surface of I53_dn5 nanoparticle
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin,I53_dn5
Authors:Acton, O.J, Park, Y.J, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-11-04
Release date:2021-03-31
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Quadrivalent influenza nanoparticle vaccines induce broad protection.
Nature, 592, 2021
7O41
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BU of 7o41 by Molmil
Hexameric composite model of the Inner Membrane Complex (IMC) with the Arches from the fully-assembled R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwG protein, TrwK protein, TrwM protein
Authors:Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
Deposit date:2021-04-04
Release date:2022-06-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7O3V
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BU of 7o3v by Molmil
Stalk complex structure (TrwJ/VirB5-TrwI/VirB6) from the fully-assembled R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwI protein, TrwJ protein
Authors:Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
Deposit date:2021-04-03
Release date:2022-06-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7O43
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BU of 7o43 by Molmil
TrwK/VirB4unbound dimer complex from R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwK protein
Authors:Vadakkepat, A.K, Mace, K, Lukoyanova, N, Waksman, G.
Deposit date:2021-04-04
Release date:2022-06-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7O3J
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BU of 7o3j by Molmil
O-layer structure (TrwH/VirB7, TrwF/VirB9CTD, TrwE/VirB10CTD) of the outer membrane core complex from the fully-assembled R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwE protein, TrwF protein, TrwH protein
Authors:Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
Deposit date:2021-04-01
Release date:2022-06-22
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7O3T
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BU of 7o3t by Molmil
I-layer structure (TrwF/VirB9NTD, TrwE/VirB10NTD) of the outer membrane core complex from the fully-assembled R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwE protein, TrwF protein
Authors:Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
Deposit date:2021-04-03
Release date:2022-06-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7O42
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BU of 7o42 by Molmil
TrwK/VirB4unbound trimer of dimers complex (with Hcp1) from the R388 type IV secretion system determined by cryo-EM.
Descriptor: TrwK protein,Protein hcp1
Authors:Vadakkepat, A.K, Mace, K, Lukoyanova, N, Waksman, G.
Deposit date:2021-04-04
Release date:2022-06-22
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
2LAE
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BU of 2lae by Molmil
NMR solution structure of the C-terminal domain of the E. coli lipoprotein BamC
Descriptor: Lipoprotein 34
Authors:Pardi, A, Warner, L.
Deposit date:2011-03-11
Release date:2011-06-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure of the BamC Two-Domain Protein Obtained by Rosetta with a Limited NMR Data Set.
J.Mol.Biol., 411, 2011
2RKX
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BU of 2rkx by Molmil
The 3D structure of chain D, cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase
Descriptor: Cyclase subunit of imidazoleglycerol_evolvedcerolphosphate synthase
Authors:Tawfik, D, Khersonsky, O, Albeck, S, Dym, O, Israel Structural Proteomics Center (ISPC)
Deposit date:2007-10-18
Release date:2008-03-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Kemp elimination catalysts by computational enzyme design.
Nature, 453, 2008

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