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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
7NFH
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BU of 7nfh by Molmil
A heptameric barrel state of a de novo coiled-coil assembly: CC-Type2-(MaId)4.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4
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 (1.62 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
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
8FBO
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BU of 8fbo by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_102
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 (3.4 Å)
Cite:Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains.
Proc.Natl.Acad.Sci.USA, 120, 2023
8FBJ
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BU of 8fbj by Molmil
Improving the secretion of designed protein assemblies through negative design of cryptic transmembrane domains
Descriptor: KWOCA_60
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 (3.25 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
6W70
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BU of 6w70 by Molmil
Crystal Structure of apixaban-bound ABLE
Descriptor: 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE, ACETATE ION, De novo designed ABLE, ...
Authors:Polizzi, N.F.
Deposit date:2020-03-18
Release date:2020-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.296 Å)
Cite:A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
6W6X
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BU of 6w6x by Molmil
Crystal Structure of ABLE Apo-protein
Descriptor: ACETATE ION, De novo designed ABLE protein, SULFATE ION
Authors:Polizzi, N.F.
Deposit date:2020-03-18
Release date:2020-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.297 Å)
Cite:A defined structural unit enables de novo design of small-molecule-binding proteins.
Science, 369, 2020
5JI4
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BU of 5ji4 by Molmil
Solution structure of the de novo mini protein gEEHE_02
Descriptor: W37
Authors:Buchko, G.W, Bahl, C.D, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5JHI
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BU of 5jhi by Molmil
Solution structure of the de novo mini protein gEHE_06
Descriptor: W35
Authors:Buchko, G.W, Bahl, C.D, Gilmore, J.M, Pulavarti, S.V, Baker, D, Szyperski, T.
Deposit date:2016-04-21
Release date:2016-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
7BIM
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BU of 7bim by Molmil
A de novo designed nonameric coiled coil, CC-Type2-(GgLaId)4
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Nonameric de novo coiled coil CC-Type2-(GgLaId)4
Authors:Shelley, K.L, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
Deposit date:2021-01-12
Release date:2021-04-21
Last modified:2021-11-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Coiled coils 9-to-5: rational de novo design of alpha-helical barrels with tunable oligomeric states.
Chem Sci, 12, 2021
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:2024-06-19
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
1L4X
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BU of 1l4x by Molmil
Octameric de novo designed peptide
Descriptor: CHLORIDE ION, MAGNESIUM ION, SIN-ASP-GLU-LEU-GLU-ARG-ALA-ILE-ARG-GLU-LEU-ALA-ALA-ARG-ILE-LYS-NH2
Authors:Meier, M, Lustig, A, Aebi, U, Burkhard, P.
Deposit date:2002-03-06
Release date:2002-11-13
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Removing an interhelical salt bridge abolishes coiled-coil formation in a de novo designed peptide
J.STRUCT.BIOL., 137, 2002
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
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
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
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
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
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
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
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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數據於2024-07-17公開中

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