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6CZI
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BU of 6czi by Molmil
Structure of a redesigned beta barrel, mFAP1, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP1
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZH
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BU of 6czh by Molmil
Structure of a redesigned beta barrel, mFAP0, bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, mFAP0
著者Doyle, L.A, Stoddard, B.L.
登録日2018-04-09
公開日2018-09-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
5IER
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BU of 5ier by Molmil
Structure of a computationally designed 17-OHP binder
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9, SODIUM ION, ...
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
5IF6
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BU of 5if6 by Molmil
Structure of a computationally designed 17-OHP binder
分子名称: (9beta)-17-hydroxypregn-4-ene-3,20-dione, OHP9_1c, SODIUM ION
著者Stoddard, B.L, Doyle, L.A.
登録日2016-02-25
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Sampling and energy evaluation challenges in ligand binding protein design.
Protein Sci., 26, 2017
4BIR
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BU of 4bir by Molmil
RIBONUCLEASE T1: FREE HIS92GLN MUTANT
分子名称: CALCIUM ION, GUANYL-SPECIFIC RIBONUCLEASE T1
著者Doumen, J, Steyaert, J.
登録日1998-01-13
公開日1998-07-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Role of histidine-40 in ribonuclease T1 catalysis: three-dimensionalstructures of the partially active His40Lys mutant.
Biochemistry, 31, 1992
5BVB
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BU of 5bvb by Molmil
Engineered Digoxigenin binder DIG5.1a
分子名称: DIG5.1a, DIGOXIGENIN
著者Doyle, L.A, Stoddard, B.L.
登録日2015-06-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge.
J.Chem.Inf.Model., 56, 2016
4J8T
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BU of 4j8t by Molmil
Engineered Digoxigenin binder DIG10.2
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-14
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
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
4J9A
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BU of 4j9a by Molmil
Engineered Digoxigenin binder DIG10.3
分子名称: DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3
著者Stoddard, B.L, Doyle, L.A.
登録日2013-02-15
公開日2013-06-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Computational design of ligand-binding proteins with high affinity and selectivity.
Nature, 501, 2013
6M6Z
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BU of 6m6z by Molmil
A de novo designed transmembrane nanopore, TMH4C4
分子名称: TMH4C4
著者Lu, P, Xu, C, Reggiano, G, Xu, Q, DiMaio, F, Baker, D.
登録日2020-03-16
公開日2020-06-24
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.9 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
6O35
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BU of 6o35 by Molmil
Crystal structure of a de novo designed octameric helical-bundle protein
分子名称: de novo designed WSHC8
著者Bick, M.J, Xu, C, Sankaran, B, Baker, D.
登録日2019-02-25
公開日2020-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
5L33
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BU of 5l33 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-08-03
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5KPH
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BU of 5kph by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR485
分子名称: De novo Beta Sheet Design Protein OR485
著者Tang, Y, Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2016-07-04
公開日2016-09-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5KPE
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BU of 5kpe by Molmil
Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664
分子名称: De novo Beta Sheet Design Protein OR664
著者Tang, Y, Liu, G, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2016-07-03
公開日2016-09-21
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5U35
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BU of 5u35 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-METHOXYETHANOL, CHLORIDE ION, ...
著者Oberdorfer, G, Marcos, E, Basanta, B, Chidyausiku, T.M, Sankaran, B, Zwart, P.H, Baker, D.
登録日2016-12-01
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TRV
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BU of 5trv by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: DI(HYDROXYETHYL)ETHER, denovo NTF2
著者Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-27
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TPJ
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BU of 5tpj by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: denovo NTF2
著者Basanta, B, Oberdorfer, G, Marcos, E, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-20
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TPH
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BU of 5tph by Molmil
Crystal structure of a de novo designed protein homodimer with curved beta-sheet
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, de novo NTF2 homodimer
著者Basanta, B, Marcos, E, Oberdorfer, G, Chidyausiku, T.M, Sankaran, B, Baker, D.
登録日2016-10-20
公開日2017-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
5TS4
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BU of 5ts4 by Molmil
Crystal structure of a de novo designed protein with curved beta-sheet
分子名称: DI(HYDROXYETHYL)ETHER, denovo NTF2
著者Basanta, B, Oberdorfer, G, Chidyausiku, T.M, Marcos, E, Pereira, J.H, Sankaran, B, Zwart, P.H, Baker, D.
登録日2016-10-27
公開日2017-01-25
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (3.005 Å)
主引用文献Principles for designing proteins with cavities formed by curved beta sheets.
Science, 355, 2017
6TMS
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BU of 6tms by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
分子名称: SULFATE ION, a novel designed pore protein, affinity purification tag
著者Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
登録日2019-12-05
公開日2020-04-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
6TJ1
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BU of 6tj1 by Molmil
Crystal structure of a de novo designed hexameric helical-bundle protein
分子名称: De novo designed WSHC6, purification tag
著者Xu, C, Pei, X.Y, Luisi, B.F, Baker, D.
登録日2019-11-23
公開日2020-04-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Computational design of transmembrane pores.
Nature, 585, 2020
7SKP
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BU of 7skp by Molmil
De novo synthetic protein DIG14 (tetragonal space group)
分子名称: De novo synthetic protein DIG14
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKN
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BU of 7skn by Molmil
De novo synthetic protein DIG8-CC (tetragonal space group)
分子名称: De novo synthetic protein DIG8-CC
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
7SKO
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BU of 7sko by Molmil
De novo synthetic protein DIG8-CC (orthogonal space group)
分子名称: De novo synthetic protein DIG8-CC, MAGNESIUM ION
著者Mendes, S.R, Eckhard, U, Marcos, E, Gomis-Ruth, F.X.
登録日2021-10-21
公開日2022-10-12
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献De novo design of immunoglobulin-like domains
Nat Commun, 13, 2022
4CRH
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BU of 4crh by Molmil
Crystal structure of the BTB-T1 domain of human SHKBP1
分子名称: SH3KBP1-BINDING PROTEIN 1
著者Pinkas, D.M, Solcan, N, Krojer, T, Goubin, S, Williams, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
登録日2014-02-26
公開日2014-03-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017

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件を2024-11-06に公開中

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