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7NFP
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BU of 7nfp by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17K
Descriptor: CC-Type2-(LaId)4-I17K, GLYCEROL
Authors:Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFN
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BU of 7nfn by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21N-I24N.
Descriptor: CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFG
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BU of 7nfg by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L14A.
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFI
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BU of 7nfi by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L7Y.
Descriptor: CC-Type2-(LaId)4-L7Y
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFJ
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BU of 7nfj by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L28Y.
Descriptor: CC-Type2-(LaId)4-L28Y
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFF
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BU of 7nff by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24A.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFO
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BU of 7nfo by Molmil
A hexameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I17C.
Descriptor: CC-Type2-(LaId)4-I17C
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFM
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BU of 7nfm by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-L21K.
Descriptor: CC-Type2-(LaId)4-L21K
Authors:Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-02-07
Release date:2022-03-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
5EHB
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BU of 5ehb by Molmil
A de novo designed hexameric coiled-coil peptide with iodotyrosine
Descriptor: pHiosYI
Authors:Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I.
Deposit date:2015-10-28
Release date:2016-06-15
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch.
Structure, 24, 2016
6W3W
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BU of 6w3w by Molmil
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
6Q5S
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BU of 6q5s by Molmil
Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet
Descriptor: apCC-Tet
Authors:Beesley, J.L, Guto, G.R, Wood, C.W, Brady, R.L, Woolfson, D.N.
Deposit date:2018-12-09
Release date:2019-05-22
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
3VJF
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BU of 3vjf by Molmil
Crystal structure of de novo 4-helix bundle protein WA20
Descriptor: POTASSIUM ION, WA20
Authors:Arai, R, Kimura, A, Kobayashi, N, Matsuo, K, Sato, T, Wang, A.F, Platt, J.M, Bradley, L.H, Hecht, M.H.
Deposit date:2011-10-18
Release date:2012-03-28
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Domain-swapped dimeric structure of a stable and functional de novo four-helix bundle protein, WA20
J.Phys.Chem.B, 116, 2012
7AH0
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BU of 7ah0 by Molmil
Crystal structure of the de novo designed two-heme binding protein, 4D2
Descriptor: 4D2, PROTOPORPHYRIN IX CONTAINING FE
Authors:Hutchins, G.H, Parnell, A.E, Anderson, J.L.R.
Deposit date:2020-09-23
Release date:2021-10-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:An expandable, modular de novo protein platform for precision redox engineering.
Proc.Natl.Acad.Sci.USA, 120, 2023
3P6I
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BU of 3p6i by Molmil
Crystal structure of Symfoil-4T Permutation #2: 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:Blaber, M, Lee, J.
Deposit date:2010-10-11
Release date:2011-10-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Permutations study of de novo designed symmetric beta-trefoil architecture
To be Published
1IVL
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BU of 1ivl by Molmil
THE DE NOVO DESIGN OF AN ANTIBODY COMBINING SITE: CRYSTALLOGRAPHIC ANALYSIS OF THE VL DOMAIN CONFIRMS THE STRUCTURAL MODEL
Descriptor: IGG-KAPPA M29B FV (LIGHT CHAIN), ISOPROPYL ALCOHOL
Authors:Essen, L.-O, Skerra, A.
Deposit date:1994-05-04
Release date:1994-08-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:The de novo design of an antibody combining site. Crystallographic analysis of the VL domain confirms the structural model.
J.Mol.Biol., 238, 1994
3RA3
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BU of 3ra3 by Molmil
Crystal structure of a section of a de novo design gigaDalton protein fibre
Descriptor: SODIUM ION, p1c, p2f
Authors:Zaccai, N.R, Sharp, T.H, Bruning, M, Woolfson, D.N, Brady, R.L.
Deposit date:2011-03-27
Release date:2012-08-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cryo-transmission electron microscopy structure of a gigadalton peptide fiber of de novo design
Proc.Natl.Acad.Sci.USA, 109, 2012
4DZM
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BU of 4dzm by Molmil
A de novo designed Coiled Coil CC-Di
Descriptor: COILED-COIL PEPTIDE CC-DI
Authors:Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
Deposit date:2012-03-01
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
4DZL
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BU of 4dzl by Molmil
A de novo designed Coiled Coil CC-Tri
Descriptor: COILED-COIL PEPTIDE CC-TRI
Authors:Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
Deposit date:2012-03-01
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
4DZK
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BU of 4dzk by Molmil
A de novo designed Coiled Coil CC-Tri-N13
Descriptor: CHLORIDE ION, COILED-COIL PEPTIDE CC-TRI-N13
Authors:Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
Deposit date:2012-03-01
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
4DZN
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BU of 4dzn by Molmil
A de novo designed Coiled Coil CC-pIL
Descriptor: COILED-COIL PEPTIDE CC-PIL
Authors:Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
Deposit date:2012-03-01
Release date:2012-08-29
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
3UD6
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BU of 3ud6 by Molmil
Structural analyses of covalent enzyme-substrate analogue complexes reveal strengths and limitations of de novo enzyme design
Descriptor: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
Authors:Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
Deposit date:2011-10-27
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.091 Å)
Cite:Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
3B83
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BU of 3b83 by Molmil
Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Descriptor: TEN-D3
Authors:Hu, X, Ke, H, Kuhlman, B.
Deposit date:2007-10-31
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Computer-Based Redesign of a beta Sandwich Protein Suggests that Extensive Negative Design Is Not Required for De Novo beta Sheet Design.
Structure, 16, 2008
6XXV
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BU of 6xxv by Molmil
Crystal Structure of a computationally designed Immunogen S2_1.2 in complex with its elicited antibody C57
Descriptor: Antibody C57, Heavy Chain, Light Chain, ...
Authors:Yang, C, Sesterhenn, F, Correia, B.E, Pojer, F.
Deposit date:2020-01-28
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.20116425 Å)
Cite:De novo protein design enables the precise induction of RSV-neutralizing antibodies.
Science, 368, 2020
7SQ3
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BU of 7sq3 by Molmil
Designed trefoil knot protein, variant 1
Descriptor: CHLORIDE ION, Designed trefoil knot protein, variant 1, ...
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.453 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SQ4
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BU of 7sq4 by Molmil
Designed trefoil knot protein, variant 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ...
Authors:Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
Deposit date:2021-11-04
Release date:2022-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.493 Å)
Cite:De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023

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