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4G4M
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BU of 4g4m by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3(6-13)
Descriptor: 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, alpha4F3(6-13)
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-16
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
4G3B
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BU of 4g3b by Molmil
Crystal structure of the de novo designed fluorinated peptide alpha4F3d
Descriptor: ACETYL GROUP, alpha4F3d
Authors:Buer, B.C, Meagher, J.L, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2012-07-13
Release date:2012-10-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Comparison of the structures and stabilities of coiled-coil proteins containing hexafluoroleucine and t-butylalanine provides insight into the stabilizing effects of highly fluorinated amino acid side-chains.
Protein Sci., 21, 2012
8QAA
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BU of 8qaa by Molmil
X-ray crystal structure of a de novo designed antiparallel coiled-coil 6-helix bundle with 4 heptad repeats, antiparallel 6-helix bundle-ALIA
Descriptor: antiparallel 6-helix bundle-ALIA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAE
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BU of 8qae by Molmil
X-ray crystal structure of a de novo designed single-chain antiparallel 6-helix alpha-helical barrel, sc-apCC-6-SLLA
Descriptor: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, PENTAETHYLENE GLYCOL, sc-apCC-6-SLLA
Authors:Albanese, K.I, Petrenas, R, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAG
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BU of 8qag by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 6 inner helices, sc-CC-6-95
Descriptor: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
Descriptor: sc-CC-8-58
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024
3OGF
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BU of 3ogf by Molmil
Crystal structure of Difoil-4P homo-trimer: de novo designed dimeric trefoil-fold sub-domain which forms homo-trimer assembly
Descriptor: SULFATE ION, de novo designed dimeric trefoil-fold sub-domain which forms homo-trimer assembly
Authors:Lee, J, Blaber, M.
Deposit date:2010-08-16
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.864 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
1DB3
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BU of 1db3 by Molmil
E.COLI GDP-MANNOSE 4,6-DEHYDRATASE
Descriptor: GDP-MANNOSE 4,6-DEHYDRATASE
Authors:Somoza, J.R, Menon, S, Somers, W.S, Sullivan, F.X.
Deposit date:1999-11-02
Release date:1999-11-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic analysis of Escherichia coli GDP-mannose 4,6 dehydratase provides insights into the enzyme's catalytic mechanism and regulation by GDP-fucose.
Structure Fold.Des., 8, 2000
3OL0
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BU of 3ol0 by Molmil
Crystal structure of Monofoil-4P homo-trimer: de novo designed monomer trefoil-fold sub-domain which forms homo-trimer assembly
Descriptor: SULFATE ION, de novo designed monomer trefoil-fold sub-domain which forms homo-trimer assembly
Authors:Lee, J, Blaber, M.
Deposit date:2010-08-25
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.483 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
3O4D
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BU of 3o4d by Molmil
Crystal structure of Symfoil-4P: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
3O49
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BU of 3o49 by Molmil
Crystal structure of Symfoil-1: de novo designed beta-trefoil architecture with symmetric primary structure
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure
Authors:Lee, J, Blaber, M.
Deposit date:2010-07-26
Release date:2010-12-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Experimental support for the evolution of symmetric protein architecture from a simple peptide motif.
Proc.Natl.Acad.Sci.USA, 108, 2011
7T2F
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BU of 7t2f by Molmil
Solution structure of the model HEEH mini protein homodimer HEEH_TK_rd5_0341
Descriptor: HEEH mini protein HEEH_TK_rd5_0341
Authors:Lemak, A, Houliston, S, Kim, T.-E, Martel, C, Rocklin, G.J, Arrowsmith, C.H.
Deposit date:2021-12-04
Release date:2022-10-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8S1X
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BU of 8s1x by Molmil
Crystal structure of Actinonin-bound PDF1 and the computationally designed DBAct553_1 protein binder
Descriptor: ACTINONIN, DBAct553_1, FORMIC ACID, ...
Authors:Marchand, A, Pacesa, M, Correia, B.E.
Deposit date:2024-02-16
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Targeting hybrid neosurface fingerprints for the design of de novo drug-induced protein interactions
To Be Published
2JGO
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BU of 2jgo by Molmil
Structure of the arsenated de novo designed peptide Coil Ser L9C
Descriptor: ARSENIC, COIL SER L9C, ZINC ION
Authors:Touw, D.S, Nordman, C.E, Stuckey, J.A, Pecoraro, V.L.
Deposit date:2007-02-13
Release date:2007-07-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Identifying Important Structural Characteristics of Arsenic Resistance Proteins by Using Designed Three-Stranded Coiled Coils.
Proc.Natl.Acad.Sci.USA, 104, 2007
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
1QCZ
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BU of 1qcz by Molmil
CRYSTAL STRUCTURE OF E. COLI PURE, AN UNUSUAL MUTASE THAT CATALYZES THE CONVERSION OF N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (N5-CAIR) TO 4-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR) IN THE PURINE BIOSYNTHETIC PATHWAY
Descriptor: N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
Authors:Ealick, S.E, Mathews, I.I.
Deposit date:1999-05-10
Release date:1999-11-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway.
Structure Fold.Des., 7, 1999
8P4Y
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BU of 8p4y by Molmil
Coiled-coil protein origami triangle
Descriptor: GLYCEROL, Protein origami triangle
Authors:Satler, T, Hadzi, S, Jerala, R.
Deposit date:2023-05-23
Release date:2023-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Crystal Structure of de Novo Designed Coiled-Coil Protein Origami Triangle.
J.Am.Chem.Soc., 145, 2023
6TVJ
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BU of 6tvj by Molmil
Solution structure of PD-i3 peptide inhibitor of the human PD-1 extracellular domain
Descriptor: PD-i3 peptide
Authors:Guardiola, S, Varese, M, Garcia, J, Giralt, E.
Deposit date:2020-01-09
Release date:2021-01-27
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Target-templated de novo design of macrocyclic d-/l-peptides: discovery of drug-like inhibitors of PD-1.
Chem Sci, 12, 2021
3R2X
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BU of 3r2x by Molmil
Crystal structure of the de novo designed binding protein HB36.3 in complex the the 1918 influenza virus hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HB36.3, designed hemagglutinin binding protein, ...
Authors:Ekiert, D.C, Wilson, I.A.
Deposit date:2011-03-14
Release date:2011-05-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Computational design of proteins targeting the conserved stem region of influenza hemagglutinin.
Science, 332, 2011
8T6E
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BU of 8t6e by Molmil
Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-28.3: A, T33-28.3: B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
8T6C
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BU of 8t6c by Molmil
Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-18.2 : A, T33-18.2 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-15
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
4PN8
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BU of 4pn8 by Molmil
A de novo designed pentameric coiled coil CC-Pent.
Descriptor: CC-Pent
Authors:Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N.
Deposit date:2014-05-23
Release date:2014-10-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
8T6N
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BU of 8t6n by Molmil
Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles
Descriptor: T33-27.1 : A, T33-27.1 : B
Authors:Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P.
Deposit date:2023-06-16
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
4PN9
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BU of 4pn9 by Molmil
A de novo designed hexameric coiled coil CC-Hex2
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CC-Hex2
Authors:Wood, C.W, Burton, A.J, Thomson, A.R, Brady, R.L, Woolfson, D.N.
Deposit date:2014-05-23
Release date:2014-10-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014
4PNA
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BU of 4pna by Molmil
A de novo designed heptameric coiled coil CC-Hept
Descriptor: CC-Hept, GLYCEROL
Authors:Burton, A.J, Wood, C.W, Thomson, A.R, Brady, R.L, Woolfson, D.N.
Deposit date:2014-05-23
Release date:2014-10-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Computational design of water-soluble alpha-helical barrels.
Science, 346, 2014

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