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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.
分子名称: CC-Type2-(LaId)4-I17C
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献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.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CC-Type2-(LaId)4-I24A, GLYCEROL
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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.
分子名称: CC-Type2-(LaId)4-L21K
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献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.
分子名称: CC-Type2-(LaId)4-L7Y
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
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
分子名称: CC-Type2-(LaId)4-I17K, GLYCEROL
著者Burton, A.J, Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
7NFK
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BU of 7nfk by Molmil
An octameric barrel state of a de novo coiled-coil assembly: CC-Type2-(LaId)4-I24S.
分子名称: CC-Type2-(LaId)4-I24S, ISOPROPYL ALCOHOL
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献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.
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CC-Type2-(LaId)4-L14A
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献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.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CC-Type2-(MaId)4
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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.
分子名称: CC-Type2-(LaId)4-L21N-I24N, HEXANE-1,6-DIOL
著者Rhys, G.G, Dawson, W.M, Brady, R.L, Woolfson, D.N.
登録日2021-02-07
公開日2022-03-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Differential sensing with arrays of de novo designed peptide assemblies.
Nat Commun, 14, 2023
6Z0L
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BU of 6z0l by Molmil
Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix
分子名称: CADMIUM ION, Cys-N2 Strand, Positive Strand, ...
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
6Z0M
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BU of 6z0m by Molmil
Het-Ncap - De novo designed three-helix heterodimer with Cysteine at the Ncap position of the alpha-helix
分子名称: Cys-Ncap strand, Positive Strand, SULFATE ION, ...
著者McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
登録日2020-05-09
公開日2021-03-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
8DZ8
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BU of 8dz8 by Molmil
Neoleukin 4, a de novo designed IL-4 mimetic
分子名称: neoleukin-4
著者Jude, K.M, Spangler, J.B, Garcia, K.C.
登録日2022-08-06
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Design of cell-type-specific hyperstable IL-4 mimetics via modular de novo scaffolds.
Nat.Chem.Biol., 19, 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
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure
著者Blaber, M, Lee, J.
登録日2010-10-11
公開日2011-10-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Permutations study of de novo designed symmetric beta-trefoil architecture
To be Published
6EGC
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BU of 6egc by Molmil
Single-chain version of 2L4HC2_23 (PDB 5J0K)
分子名称: SC_2L4HC2_23
著者Bick, M.J, Chen, Z, DiMaio, F.
登録日2018-08-19
公開日2019-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Self-Assembling 2D Arrays with de Novo Protein Building Blocks.
J.Am.Chem.Soc., 141, 2019
6Q5S
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BU of 6q5s by Molmil
Crystal structure of a de novo designed antiparallel four-helix coiled coil apCC-Tet
分子名称: apCC-Tet
著者Beesley, J.L, Guto, G.R, Wood, C.W, Brady, R.L, Woolfson, D.N.
登録日2018-12-09
公開日2019-05-22
最終更新日2019-06-19
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Navigating the Structural Landscape of De Novo alpha-Helical Bundles.
J.Am.Chem.Soc., 141, 2019
8UGC
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BU of 8ugc by Molmil
FD15: Flat repeat helix-turn-helix-turn protein
分子名称: FD15
著者Davila-Hernandez, F, Bera, A.K, Kang, A, Baker, D.
登録日2023-10-05
公開日2023-12-27
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Directing polymorph specific calcium carbonate formation with de novo protein templates.
Nat Commun, 14, 2023
3VJF
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BU of 3vjf by Molmil
Crystal structure of de novo 4-helix bundle protein WA20
分子名称: POTASSIUM ION, WA20
著者Arai, R, Kimura, A, Kobayashi, N, Matsuo, K, Sato, T, Wang, A.F, Platt, J.M, Bradley, L.H, Hecht, M.H.
登録日2011-10-18
公開日2012-03-28
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Domain-swapped dimeric structure of a stable and functional de novo four-helix bundle protein, WA20
J.Phys.Chem.B, 116, 2012
3RA3
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BU of 3ra3 by Molmil
Crystal structure of a section of a de novo design gigaDalton protein fibre
分子名称: SODIUM ION, p1c, p2f
著者Zaccai, N.R, Sharp, T.H, Bruning, M, Woolfson, D.N, Brady, R.L.
登録日2011-03-27
公開日2012-08-08
最終更新日2013-06-19
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Cryo-transmission electron microscopy structure of a gigadalton peptide fiber of de novo design
Proc.Natl.Acad.Sci.USA, 109, 2012
4DZL
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BU of 4dzl by Molmil
A de novo designed Coiled Coil CC-Tri
分子名称: COILED-COIL PEPTIDE CC-TRI
著者Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
登録日2012-03-01
公開日2012-08-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: CHLORIDE ION, COILED-COIL PEPTIDE CC-TRI-N13
著者Bruning, M, Thomson, A.R, Zaccai, N.R, Brady, R.L, Woolfson, D.N.
登録日2012-03-01
公開日2012-08-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A basis set of de novo coiled-coil Peptide oligomers for rational protein design and synthetic biology.
ACS Synth Biol, 1, 2012
5IZQ
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BU of 5izq by Molmil
Crystal structure of human folate receptor alpha in complex with novel antifolate AGF183
分子名称: Folate receptor alpha, N-(4-{[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino}benzene-1-carbonyl)-L-glutamic acid
著者Ke, J, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2016-03-25
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Tumor Targeting with Novel 6-Substituted Pyrrolo [2,3-d] Pyrimidine Antifolates with Heteroatom Bridge Substitutions via Cellular Uptake by Folate Receptor alpha and the Proton-Coupled Folate Transporter and Inhibition of de Novo Purine Nucleotide Biosynthesis.
J.Med.Chem., 59, 2016
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
分子名称: 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, RETRO-ALDOLASE, SULFATE ION
著者Baker, D, Stoddard, B.L, Althoff, E.A, Wang, L, Jiang, L, Moody, J, Bolduc, J, Lassila, J, Hilvert, D.
登録日2011-10-27
公開日2011-11-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.091 Å)
主引用文献Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
5JQZ
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BU of 5jqz by Molmil
Designed two-ring homotetramer at 3.8A resolution
分子名称: De novo designed homotetramer
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Oberdorfer, G, Boyken, S.E, Chen, Z.
登録日2016-05-05
公開日2016-06-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.83 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
7SQ4
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BU of 7sq4 by Molmil
Designed trefoil knot protein, variant 2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Designed trefoil knot protein, variant 2, ...
著者Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
登録日2021-11-04
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
7SQ3
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BU of 7sq3 by Molmil
Designed trefoil knot protein, variant 1
分子名称: CHLORIDE ION, Designed trefoil knot protein, variant 1, ...
著者Takushi, B, Doyle, L, Stoddard, B.L, Bradley, P.
登録日2021-11-04
公開日2022-06-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.453 Å)
主引用文献De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023

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