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5UP5
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BU of 5up5 by Molmil
Solution structure of the de novo mini protein EHEE_rd1_0284
分子名称: EHEE_rd1_0284
著者Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
5KAY
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BU of 5kay by Molmil
Structure of Spelter bound to Zn2+
分子名称: SODIUM ION, Spelter, ZINC ION
著者Guffy, S.L, Der, B.S, Kuhlman, B.
登録日2016-06-02
公開日2016-08-03
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the minimal determinants of zinc binding with computational protein design.
Protein Eng.Des.Sel., 29, 2016
6XY1
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BU of 6xy1 by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 4-KE-4.
分子名称: 4-KE-4
著者Edgell, C.L, Savery, N.J, Woolfson, D.N.
登録日2020-01-29
公開日2020-03-18
最終更新日2023-03-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
6XY0
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BU of 6xy0 by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 3-EK-4
分子名称: 3-EK-4
著者Edgell, C.L, Savery, N.J, Woolfson, D.N.
登録日2020-01-29
公開日2020-03-18
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
6XXZ
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BU of 6xxz by Molmil
Crystal structure of a de novo designed parallel four-helix coiled coil, 2-EK-4
分子名称: 2-EK-4, PROPANOIC ACID
著者Edgell, C.L, Savery, N.J, Woolfson, D.N.
登録日2020-01-29
公開日2020-03-18
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献RobustDe Novo-Designed Homotetrameric Coiled Coils.
Biochemistry, 59, 2020
5UP1
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BU of 5up1 by Molmil
Solution structure of the de novo mini protein EEHEE_rd3_1049
分子名称: EEHEE_rd3_1049
著者Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
8UZL
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BU of 8uzl by Molmil
Designed Transmembrane beta-barrel- TMB10_163
分子名称: Designed Transmembrane beta-barrel TMB10_163, HEXANE-1,6-DIOL
著者Bera, A.K, Lemma, S.B, Kang, A, Baker, D.
登録日2023-11-15
公開日2024-07-17
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Sculpting conducting nanopore size and shape through de novo protein design
Science, 2024
1KYC
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BU of 1kyc by Molmil
CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE STABLIZED BY IONIC INTERACTIONS
分子名称: SIN-GLU-GLU-LEU-ARG-ARG-ARG-ILE-GLU-GLU-LEU-GLU-ARG-ARG-ILE-ARG-NH2, SUCCINIC ACID, SULFATE ION
著者Burkhard, P, Ivaninskii, S, Lustig, A.
登録日2002-02-04
公開日2002-08-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Improving coiled-coil stability by optimizing ionic interactions.
J.Mol.Biol., 318, 2002
1HQJ
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BU of 1hqj by Molmil
CRYSTAL STRUCTURE OF A DE NOVO DESIGNED TRIMERIC COILED-COIL PEPTIDE
分子名称: LEAD (II) ION, SULFATE ION, ZJU-GLU-LEU-GLU-ALA-ARG-ILE-ARG-GLU-LEU-GLU-ALA-ARG-ILE-LYS-NH2
著者Burkhard, P, Meier, M, Lustig, A.
登録日2000-12-18
公開日2001-03-14
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Design of a minimal protein oligomerization domain by a structural approach.
Protein Sci., 9, 2000
7TYD
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BU of 7tyd by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder in P21 space group
分子名称: Binder, Fibroblast growth factor receptor 4
著者Park, J.S, Lee, S.
登録日2022-02-12
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Isoform-specific inhibition of FGFR signaling achieved by a de-novo-designed mini-protein.
Cell Rep, 41, 2022
8VSW
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BU of 8vsw by Molmil
4-MERCAPTOPHENOL-ALPHA3C
分子名称: 4-mercaptophenol-alpha3C protein, 4-sulfanylphenol
著者Tommos, C.
登録日2024-01-24
公開日2024-03-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Switching the proton-coupled electron transfer mechanism for non-canonical tyrosine residues in a de novo protein.
Chem Sci, 15, 2024
6VFL
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BU of 6vfl by Molmil
BG505-SOSIP model reconstructed by subparticle extraction and refinement from a tetrahedral nanoparticle T33_dn10
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505-SOSIPv5.2(7S) - gp120, ...
著者Antanasijevic, A, Ward, A.B.
登録日2020-01-05
公開日2020-07-22
最終更新日2020-08-26
実験手法ELECTRON MICROSCOPY (4.14 Å)
主引用文献Structural and functional evaluation of de novo-designed, two-component nanoparticle carriers for HIV Env trimer immunogens.
Plos Pathog., 16, 2020
7N1K
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BU of 7n1k by Molmil
Crystal structure of a de novo-designed mini-protein targeting FGFR
分子名称: Binder
著者Park, J.S, Lee, S.
登録日2021-05-27
公開日2022-04-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
2KPO
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BU of 2kpo by Molmil
Solution NMR structure of de novo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
分子名称: rossmann 2x2 fold protein
著者Liu, G, Koga, R, Koga, N, Xiao, R, Hamilton, K, Ciccosanti, C, Acton, T.B, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-17
公開日2009-12-01
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution NMR structure of denovo designed rossmann 2x2 fold protein, Northeast Structural Genomics Consortium target OR16
To be Published
6OHH
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BU of 6ohh by Molmil
Structure of EF1p2_mFAP2b bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b
著者Doyle, L.A, Stoddard, B.L.
登録日2019-04-05
公開日2020-04-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021
4D8H
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BU of 4d8h by Molmil
Crystal structure of Symfoil-4P/PV2: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 2 (6xLeu / PV1)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo protein
著者Blaber, M, Longo, L.
登録日2012-01-10
公開日2013-01-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
3LJM
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BU of 3ljm by Molmil
Structure of de novo designed apo peptide coil SER L9C
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, COIL SER L9C, ...
著者Chakraborty, S.
登録日2010-01-26
公開日2010-09-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structural comparisons of apo- and metalated three-stranded coiled coils clarify metal binding determinants in thiolate containing designed peptides.
J.Am.Chem.Soc., 132, 2010
6MCD
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BU of 6mcd by Molmil
Crystal Structure of tris-thiolate Pb(II) complex with adjacent water in a de novo Three Stranded Coiled Coil Peptide
分子名称: LEAD (II) ION, Pb(II)(GRAND Coil Ser L12CL16A)-, ZINC ION
著者Tolbert, A.E, Ruckthong, L, Stuckey, J.A, Pecoraro, V.L.
登録日2018-08-31
公開日2020-03-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Heteromeric three-stranded coiled coils designed using a Pb(II)(Cys)3template mediated strategy.
Nat.Chem., 12, 2020
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
分子名称: antiparallel 6-helix bundle-ALIA
著者Albanese, K.I, Petrenas, R, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 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
分子名称: 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
著者Albanese, K.I, Petrenas, R, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 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
分子名称: DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, sc-CC-6-95
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 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
分子名称: sc-CC-8-58
著者Petrenas, R, Albanese, K.I, Woolfson, D.N.
登録日2023-08-22
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 2024
2LSE
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BU of 2lse by Molmil
Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188
分子名称: Four Helix Bundle Protein
著者Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-04-28
公開日2012-06-27
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188
To be Published
4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
分子名称: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-11
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014
4C52
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BU of 4c52 by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (39b)
分子名称: (R)-2-(3-(3-((2,4-DIFLUOROPENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)-3-(ISOBUTYLTHIO) PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-10
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.049 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014

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