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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
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
分子名称: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-12-13
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Generalized biomolecular modeling and design with RoseTTAFold All-Atom.
Science, 2024
8T5E
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BU of 8t5e by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Bcl-2-like protein 11, Bim_fulldiff
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8T5F
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BU of 8t5f by Molmil
De novo design of high-affinity protein binders to bioactive helical peptides
分子名称: Parathyroid hormone
著者Torres, S.V, Leung, P.J.Y, Bera, A.K, Baker, D, Kang, A.
登録日2023-06-13
公開日2024-01-10
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献De novo design of high-affinity binders of bioactive helical peptides.
Nature, 626, 2024
8TCG
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BU of 8tcg by Molmil
Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ...
著者Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8TCF
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BU of 8tcf by Molmil
Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf
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Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D.
登録日2023-06-30
公開日2023-09-27
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8.
Nat Commun, 14, 2023
8UB3
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BU of 8ub3 by Molmil
DpHF7 filament
分子名称: DpHF7 filament
著者Lynch, E.M, Farrell, D, Shen, H, Kollman, J.M, DiMaio, F, Baker, D.
登録日2023-09-22
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 2024
8UBG
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BU of 8ubg by Molmil
DpHF19 filament
分子名称: DpHF19,Green fluorescent protein (Fragment)
著者Lynch, E.M, Shen, H, Kollman, J.M, Baker, D.
登録日2023-09-22
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 2024
8UAO
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BU of 8uao by Molmil
DpHF18 filament
分子名称: DpHF18
著者Lynch, E.M, Shen, H, Kollman, J.M, Baker, D.
登録日2023-09-21
公開日2024-04-10
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献De novo design of pH-responsive self-assembling helical protein filaments.
Nat Nanotechnol, 2024
6O0I
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BU of 6o0i by Molmil
NMR ensemble of computationally designed protein XAA
分子名称: Design construct XAA
著者Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D.
登録日2019-02-16
公開日2020-04-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
6O0C
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BU of 6o0c by Molmil
NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L
分子名称: Design construct XAA_GVDQ mutant M4L
著者Wei, K.Y, Moschidi, D, Nerli, S, Sgourakis, N, Baker, D.
登録日2019-02-15
公開日2020-04-22
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Computational design of closely related proteins that adopt two well-defined but structurally divergent folds.
Proc.Natl.Acad.Sci.USA, 117, 2020
8G9J
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BU of 8g9j by Molmil
Geometrically programmable nanomaterial construction using regularized protein building blocks
分子名称: THR1
著者Huddy, T, Bera, A.K, Baker, D.
登録日2023-02-21
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8G9K
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BU of 8g9k by Molmil
Geometrically programmable nanomaterial construction using regularized protein building blocks
分子名称: THR2
著者Bera, A.K, Huddy, T, Baker, D, Kang, A.
登録日2023-02-21
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8GA6
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BU of 8ga6 by Molmil
Geometrically programmable nanomaterial construction using regularized protein building blocks
分子名称: THR6
著者Huddy, T, Bera, A.K, Baker, D, Kang, A.
登録日2023-02-22
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
8GA7
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BU of 8ga7 by Molmil
Geometrically programmable nanomaterial construction using regularized protein building blocks
分子名称: THR5
著者Huddy, T, Bera, A.K, Baker, D, Kang, A.
登録日2023-02-22
公開日2024-03-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Blueprinting extendable nanomaterials with standardized protein blocks.
Nature, 627, 2024
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
8U5A
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BU of 8u5a by Molmil
Improving protein expression, stability, and function with ProteinMPNN
分子名称: Designed myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Kalvet, I, Bera, A.K, Baker, D.
登録日2023-09-12
公開日2024-01-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Improving Protein Expression, Stability, and Function with ProteinMPNN.
J.Am.Chem.Soc., 146, 2024
8SKD
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BU of 8skd by Molmil
Solution Structure of the model miniprotein EEHEE_rd4_0871
分子名称: Miniprotein EEHEE_rd4_0871
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
実験手法SOLUTION NMR
主引用文献Solution Structure of the model miniprotein EEHEE_rd4_0871
To Be Published
8SKE
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BU of 8ske by Molmil
Solution structure of the model miniprotein EEHEE_rd4_0642
分子名称: Miniprotein EEHEE_rd4_0642
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-19
公開日2024-04-24
実験手法SOLID-STATE NMR
主引用文献Solution structure of the model miniprotein EEHEE_rd4_0642
To Be Published
8SKX
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BU of 8skx by Molmil
Solution structure of the model miniprotein HHH_rd4_0518
分子名称: Miniprotein HHH_rd4_0518
著者Houliston, S, Carter, L, Baker, D, Arrowsmith, C.H, Rocklin, G.
登録日2023-04-20
公開日2024-04-24
実験手法SOLUTION NMR
主引用文献Solution structure of the model miniprotein HHH_rd4_0518
To Be Published
8E1E
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BU of 8e1e by Molmil
Scaffolding protein functional sites using deep learning
分子名称: SG122_C3
著者Bera, A.K, Gerben, S, Baker, D.
登録日2022-08-10
公開日2023-08-16
実験手法X-RAY DIFFRACTION (4.27 Å)
主引用文献Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
8F4X
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BU of 8f4x by Molmil
Top-down design of protein architectures with reinforcement learning
分子名称: RC_I_1-H11
著者Borst, A.J, Baker, D.
登録日2022-11-11
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (3.01 Å)
主引用文献Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F54
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BU of 8f54 by Molmil
Top-down design of protein architectures with reinforcement learning
分子名称: RC_I_1
著者Borst, A.J, Baker, D.
登録日2022-11-11
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8F53
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BU of 8f53 by Molmil
Top-down design of protein architectures with reinforcement learning
分子名称: RC_I_2
著者Borst, A.J, Baker, D.
登録日2022-11-11
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献Top-down design of protein architectures with reinforcement learning.
Science, 380, 2023
8FIT
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BU of 8fit by Molmil
Multi-state design of two-state switchable hinge proteins
分子名称: cs074A
著者Bera, A.K, Praetorius, F, Baker, D.
登録日2022-12-16
公開日2023-08-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Design of stimulus-responsive two-state hinge proteins.
Science, 381, 2023

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