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7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
分子名称: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-09
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-17
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
分子名称: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-18
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
分子名称: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
著者Ramelot, T.A, Tejero, R, Montelione, G.T.
登録日2022-05-16
公開日2022-09-14
最終更新日2022-09-28
実験手法SOLUTION NMR
主引用文献Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
6E9R
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BU of 6e9r by Molmil
DHF46 filament
分子名称: DHF46 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9Z
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BU of 6e9z by Molmil
DHF119 filament
分子名称: DHF119 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9V
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BU of 6e9v by Molmil
DHF79 filament
分子名称: DHF79 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9T
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BU of 6e9t by Molmil
DHF58 filament
分子名称: DHF58 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9Y
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BU of 6e9y by Molmil
DHF38 filament
分子名称: DHF38 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
6E9X
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BU of 6e9x by Molmil
DHF91 filament
分子名称: DHF91 filament
著者Lynch, E.M, Shen, H, Fallas, J.A, Kollman, J.M, Baker, D.
登録日2018-08-01
公開日2018-11-21
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献De novo design of self-assembling helical protein filaments.
Science, 362, 2018
7KUW
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BU of 7kuw by Molmil
High-throughput design and refinement of stable proteins using sequence-only models
分子名称: Sequence-Based Designed Protein nmt_0994_guided_02
著者Bera, A.K, Stewart, L, Kang, A.S, Baker, D.
登録日2020-11-25
公開日2021-12-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Large-scale design and refinement of stable proteins using sequence-only models.
Plos One, 17, 2022
8GJI
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BU of 8gji by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: GCG binder, Glucagon
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8GJG
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BU of 8gjg by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: gluc_A04_0005, gluc_A04_0005 Binder
著者Leung, P.J.Y, Bera, A.K, Torres, S.V, Baker, D, Kang, A.
登録日2023-03-15
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8GLT
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BU of 8glt by Molmil
Backbone model of de novo-designed chlorophyll-binding nanocage O32-15
分子名称: C2-chlorophyll-comp_O32-15_ctermHis, polyalanine model, C3-comp_O32-15
著者Redler, R.L, Ennist, N.M, Wang, S, Baker, D, Ekiert, D.C, Bhabha, G.
登録日2023-03-23
公開日2024-03-27
実験手法ELECTRON MICROSCOPY (6.5 Å)
主引用文献De novo design of energy transfer proteins housing excitonically coupled chlorophyll special pairs
To Be Published
7N1J
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BU of 7n1j by Molmil
Crystal structure of FGFR4 domain 3 in complex with a de novo-designed mini-binder
分子名称: Binder, Fibroblast growth factor receptor 4
著者Park, J.S, Lee, S.
登録日2021-05-27
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
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
7N3T
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BU of 7n3t by Molmil
TrkA ECD complex with designed miniprotein ligand
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Jude, K.M, Cao, L, Garcia, K.C.
登録日2021-06-01
公開日2022-04-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
6DG5
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BU of 6dg5 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic complex with IL-2Rb and IL-2Rg
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, Cytokine receptor common subunit gamma, ...
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.516 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
6DG6
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BU of 6dg6 by Molmil
Structure of a de novo designed Interleukin-2/Interleukin-15 mimetic
分子名称: Neoleukin-2/15
著者Jude, K.M, Silva, D.-A, Yu, S, Baker, D, Garcia, K.C.
登録日2018-05-16
公開日2019-01-16
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献De novo design of potent and selective mimics of IL-2 and IL-15.
Nature, 565, 2019
6WRX
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BU of 6wrx by Molmil
Crystal structure of computationally designed protein 2DS25.1 in complex with the human Transferrin receptor ectodomain
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, CALCIUM ION, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRV
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BU of 6wrv by Molmil
Crystal structure of computationally designed protein 3DS18 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 3DS18, ...
著者Abraham, J, Baker, D, Sahtoe, D.D, Coscia, A, Clark, L, Olal, D.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
6WRW
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BU of 6wrw by Molmil
Crystal structure of computationally designed protein 2DS25.5 in complex with the human Transferrin receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Computationally designed protein 2DS25.5, ...
著者Abraham, J, Coscia, A, Olal, D, Sahtoe, D.D, Baker, D, Clark, L.
登録日2020-04-30
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Transferrin receptor targeting by de novo sheet extension.
Proc.Natl.Acad.Sci.USA, 118, 2021
7RDH
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BU of 7rdh by Molmil
Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin
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, De novo designed protein H3mb, ...
著者Kadam, R.U, Wilson, I.A.
登録日2021-07-09
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022
5KOB
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BU of 5kob by Molmil
Crystal structure of a peptide deformylase from Burkholderia xenovorans
分子名称: 1,2-ETHANEDIOL, FE (II) ION, FORMIC ACID, ...
著者SSGCID, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-06-30
公開日2016-07-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of a peptide deformylase from Burkholderia xenovorans
to be published
7S5B
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BU of 7s5b by Molmil
Unbound State of a De novo designed Protein Binder to the Human Interleukin-7 Receptor
分子名称: Miniprotein Binder
著者Walsh, S.T.R, Cao, L, Baker, D.
登録日2021-09-10
公開日2022-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Design of protein-binding proteins from the target structure alone.
Nature, 605, 2022

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