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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2024-11-27
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
8F6R
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BU of 8f6r by Molmil
CryoEM structure of designed modular protein oligomer C6-79
分子名称: De novo designed oligomeric protein C6-79
著者Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
登録日2022-11-17
公開日2023-11-29
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Cell, 187, 2024
8F6Q
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BU of 8f6q by Molmil
CryoEM structure of designed modular protein oligomer C8-71
分子名称: C8-71
著者Redler, R.L, Edman, N.I, Baker, D, Ekiert, D, Bhabha, G.
登録日2022-11-17
公開日2023-11-29
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Modulation of FGF pathway signaling and vascular differentiation using designed oligomeric assemblies.
Cell, 187, 2024
5HRY
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BU of 5hry by Molmil
Computationally Designed Cyclic Dimer ank3C2_1
分子名称: ank3C2_1
著者Cascio, D, McNamara, D.E, Fallas, J.A, Baker, D, Yeates, T.O.
登録日2016-01-24
公開日2017-04-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational design of self-assembling cyclic protein homo-oligomers.
Nat Chem, 9, 2017
8VEA
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BU of 8vea by Molmil
De novo designed helical oligomer sg266
分子名称: Designed helical oligomer sg266
著者Bera, A.K, Gerben, S, Baker, D.
登録日2023-12-18
公開日2025-01-15
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Massively parallel assessment of designed protein solution properties using mass spectrometry and peptide barcoding.
Biorxiv, 2025
8VD6
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BU of 8vd6 by Molmil
Crystal structure of CAP Repeat
分子名称: CAP REPEAT
著者Bera, A.K, Gershon, J.M, Kang, A, Baker, D.
登録日2023-12-14
公開日2024-09-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Multistate and functional protein design using RoseTTAFold sequence space diffusion.
Nat.Biotechnol., 2024
8VFQ
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BU of 8vfq by Molmil
De novo design apixaban-binding protein: apx1049
分子名称: 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, De novo designed apixaban-binding protein apx1049
著者Bera, A.K, Lee, G.R, Baker, D.
登録日2023-12-21
公開日2024-12-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Small-molecule binding and sensing with a designed protein family
To Be Published
8VEZ
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BU of 8vez by Molmil
De novo design apixaban-binding protein: apx1049
分子名称: 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, De novo design apixaban-binding protein: apx1049
著者Bera, A.K, Lee, G.R, Baker, D.
登録日2023-12-20
公開日2025-01-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Small-molecule binding and sensing with a designed protein family
To Be Published
4ZK7
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BU of 4zk7 by Molmil
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
分子名称: Chorismate mutase, Divalent-cation tolerance protein CutA
著者Liu, Y, Cascio, D, Sawaya, M.R, Bale, J, Collazo, M.J, Park, R, King, N, Baker, D, Yeates, T.
登録日2015-04-30
公開日2015-07-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structure of a designed tetrahedral protein assembly variant engineered to have improved soluble expression.
Protein Sci., 24, 2015
8DT0
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BU of 8dt0 by Molmil
Scaffolding protein functional sites using deep learning
分子名称: Scaffolding protein functional sites
著者Bera, A.K, Watson, J, Baker, D.
登録日2022-07-24
公開日2022-08-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffolding protein functional sites using deep learning.
Science, 377, 2022
9MRB
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BU of 9mrb by Molmil
The designed serine hydrolase known as dad_t1
分子名称: TETRAETHYLENE GLYCOL, dad_t1
著者Pellock, S.J, Lauko, A, Bera, A, Baker, D.
登録日2025-01-07
公開日2025-02-19
最終更新日2025-04-02
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Computational design of serine hydrolases.
Science, 2025
3LEX
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BU of 3lex by Molmil
2F5 Epitope scaffold elicited anti-HIV-1 monoclonal antibody 11F10 in complex with HIV-1 GP41
分子名称: 11f10 Antibody Heavy Chain, 11f10 Antibody Light Chain, Envelope glycoprotein gp41
著者Ofek, G, Guenaga, F.J, Schief, W.R, Skinner, J, Baker, D, Wyatt, R, Kwong, P.D.
登録日2010-01-15
公開日2010-09-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Elicitation of structure-specific antibodies by epitope scaffolds.
Proc.Natl.Acad.Sci.USA, 107, 2010
5V2G
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BU of 5v2g by Molmil
De Novo Design of Novel Covalent Constrained Meso-size Peptide Scaffolds with Unique Tertiary Structures
分子名称: 1,3,5-tris(bromomethyl)benzene, 20-mer Peptide
著者Dang, B, Wu, H, Mulligan, V.K, Mravic, M, Wu, Y, Lemmin, T, Ford, A, Silva, D, Baker, D, DeGrado, W.F.
登録日2017-03-03
公開日2017-09-27
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8E55
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BU of 8e55 by Molmil
Design of Diverse Asymmetric Pockets in de novo Homo-oligomeric Proteins
分子名称: SG135
著者Gerben, S, Borst, A.J, Baker, D.
登録日2022-08-19
公開日2023-01-25
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.85 Å)
主引用文献Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
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
3UYC
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BU of 3uyc by Molmil
Designed protein KE59 R8_2/7A
分子名称: Kemp eliminase KE59 R8_2/7A, PHOSPHATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-06
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
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
5UYO
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BU of 5uyo by Molmil
Solution NMR structure of the de novo mini protein HEEH_rd4_0097
分子名称: HEEH_rd4_0097
著者Lemak, A, Rocklin, G.J, Houliston, S, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-24
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
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
3UXD
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BU of 3uxd by Molmil
Designed protein KE59 R1 7/10H with dichlorobenzotriazole (DBT)
分子名称: 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-05
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UY7
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BU of 3uy7 by Molmil
Designed protein KE59 R1 7/10H with G130S mutation
分子名称: Kemp eliminase KE59 R1 7/10H, SODIUM ION, SULFATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-06
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UXA
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BU of 3uxa by Molmil
Designed protein KE59 R1 7/10H
分子名称: Kemp eliminase KE59 R1 7/10H, PHOSPHATE ION
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-05
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
3UZ5
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BU of 3uz5 by Molmil
Designed protein KE59 R13 3/11H
分子名称: 5,7-dichloro-1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION, ...
著者Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC)
登録日2011-12-07
公開日2012-06-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FFD
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BU of 4ffd by Molmil
Crystal structure of engineered protein. northeast structural genomics consortium target or48
分子名称: MAGNESIUM ION, PF00702 DOMAIN PROTEIN
著者Seetharaman, J, Lew, S, Nivon, L, Baker, D, Bjelic, S, Ciccosanti, C, Sahdev, S, Xiao, R, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2012-05-31
公開日2013-02-13
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystal structure of engineered protein. northeast structural genomics consortium target or48
To be Published
4UOT
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BU of 4uot by Molmil
Thermodynamic hyperstability in parametrically designed helical bundles
分子名称: DESIGNED HELICAL BUNDLE 5H2L
著者Oberdorfer, G, Huang, P, Pei, X.Y, Xu, C, Gonen, T, Nannenga, B, DiMaio, D, Rogers, J, Luisi, B.F, Baker, D.
登録日2014-06-09
公開日2014-11-05
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献High Thermodynamic Stability of Parametrically Designed Helical Bundles
Science, 346, 2014

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