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PDB: 20 件
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
分子名称: b11L5F_LGL
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2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
分子名称: SULFATE ION, b10
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 (2.1 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
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
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
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
7R9G
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BU of 7r9g by Molmil
Catalytically inactive yeast Pseudouridine Synthase, PUS1, bound to RNA
分子名称: CHLORIDE ION, RNA (5'-R(*AP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, ...
著者Doyle, L.A, Stoddard, B.L.
登録日2021-06-29
公開日2021-12-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.
Plos One, 18, 2023
7R9F
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BU of 7r9f by Molmil
Wild-type yeast Pseudouridine Synthase, PUS1, bound to 5-Fluorouracil RNA
分子名称: RNA (5'-R(*UP*AP*AP*UP*CP*GP*GP*GP*AP*UP*UP*CP*CP*GP*GP*AP*UP*A)-3'), SULFATE ION, tRNA pseudouridine synthase 1
著者Doyle, L.A, Stoddard, B.L.
登録日2021-06-29
公開日2021-12-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献The structural basis of mRNA recognition and binding by yeast pseudouridine synthase PUS1.
Plos One, 18, 2023
8EIL
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BU of 8eil by Molmil
C-Terminal Domain of BrxL from Acinetobacter BREX type I phage restriction system
分子名称: MALONIC ACID, Protease Lon-related BREX system protein BrxL, SUCCINIC ACID
著者Doyle, L.A, Stoddard, B.L, Kaiser, B.
登録日2022-09-15
公開日2023-02-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure, substrate binding and activity of a unique AAA+ protein: the BrxL phage restriction factor.
Nucleic Acids Res., 51, 2023
8ETQ
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BU of 8etq by Molmil
Designed pentafoil knot protein folded into a trefoil knot
分子名称: k-cTRP5
著者Doyle, L.A, Kibler, R.D, Bradley, P, Stoddard, B.L.
登録日2022-10-17
公開日2023-10-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献De novo design of knotted tandem repeat proteins.
Nat Commun, 14, 2023
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
分子名称: BB1
著者Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
登録日2018-04-10
公開日2018-09-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
3HOJ
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BU of 3hoj by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-22
分子名称: RETROALDOLASE-22
著者Stoddard, B.L, Doyle, L.A.
登録日2009-06-02
公開日2009-08-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De Novo Computational Design of Retro-Aldol Enzymes
Science, 319, 2008
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
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
3B5L
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BU of 3b5l by Molmil
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
分子名称: AMMONIUM ION, Endoxylanase, SULFATE ION
著者Stoddard, B.L, Doyle, L.A.
登録日2007-10-26
公開日2008-01-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献De novo computational design of retro-aldol enzymes.
Science, 319, 2008
5IEN
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BU of 5ien by Molmil
Structure of CDL2.2, a computationally designed Vitamin-D3 binder
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL
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 (2.089 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
5IEO
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BU of 5ieo by Molmil
Structure of CDL2.3a, a computationally designed Vitamin-D3 binder
分子名称: 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a
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 (1.851 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018
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
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
5IEP
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BU of 5iep by Molmil
Structure of CDL2.3b, a computationally designed Vitamin-D3 binder
分子名称: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b
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 (1.893 Å)
主引用文献Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold.
Protein Eng.Des.Sel., 31, 2018

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