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4YXY
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BU of 4yxy by Molmil
Computationally designed left-handed alpha/alpha toroid with 9 repeats; two linked rings of 12 repeats each structure
分子名称: dTor_9x31L
著者Doyle, L, Stoddard, B.L, Bradley, P.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.203 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
4YXX
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BU of 4yxx by Molmil
Computationally designed left-handed alpha/alpha toroid with 6 repeats
分子名称: dTor_6x35L
著者Doyle, L, Bolduc, J, Stoddard, B.L, Bradley, P.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
4YXZ
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BU of 4yxz by Molmil
Computationally designed left-handed alpha/alpha toroid with 9 repeats
分子名称: dTor_9x31L
著者Doyle, L, Stoddard, B.L, Bradley, P.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.496 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
5BYO
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BU of 5byo by Molmil
Computationally designed left-handed alpha/alpha toroid with 12 repeats
分子名称: dTor_12x31L
著者Doyle, L, Stoddard, B.L, Bradley, P.
登録日2015-06-10
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
6MGB
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BU of 6mgb by Molmil
Thermosulfurimonas dismutans KpsC, beta Kdo 2,4 transferase
分子名称: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsular polysaccharide export system protein KpsC, ...
著者Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C.
登録日2018-09-13
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
6MGC
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BU of 6mgc by Molmil
Escherichia coli KpsC, N-terminal domain
分子名称: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsule polysaccharide export protein KpsC, ...
著者Doyle, L, Mallette, E, Kimber, M.S.
登録日2018-09-13
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
6MGD
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BU of 6mgd by Molmil
Thermosulfurimonas dismutans KpsC, beta Kdo 2,7 transferase
分子名称: Capsular polysaccharide export system protein KpsC
著者Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C.
登録日2018-09-13
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
8FUX
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BU of 8fux by Molmil
KpsC D160C ternary complex
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-beta-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, ...
著者Kimber, M.S, Doyle, L, Whitfield, C.
登録日2023-01-18
公開日2023-03-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Mechanism and linkage specificities of the dual retaining beta-Kdo glycosyltransferase modules of KpsC from bacterial capsule biosynthesis.
J.Biol.Chem., 299, 2023
8FUW
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BU of 8fuw by Molmil
KpsC D160N Kdo adduct
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, ...
著者Kimber, M.S, Doyle, L, Whitfield, C.
登録日2023-01-18
公開日2023-03-08
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism and linkage specificities of the dual retaining beta-Kdo glycosyltransferase modules of KpsC from bacterial capsule biosynthesis.
J.Biol.Chem., 299, 2023
5CW9
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BU of 5cw9 by Molmil
Crystal structure of De novo designed ferredoxin-ferredoxin domain insertion protein
分子名称: De novo designed ferredoxin-ferredoxin domain insertion protein
著者DiMaio, F, King, I.C, Gleixner, J, Doyle, L, Stoddard, B, Baker, D.
登録日2015-07-28
公開日2015-09-23
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.108 Å)
主引用文献Precise assembly of complex beta sheet topologies from de novo designed building blocks.
Elife, 4, 2015
4YY2
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BU of 4yy2 by Molmil
Computationally designed left-handed alpha/alpha toroid with 3 repeats in space group P212121
分子名称: SODIUM ION, dTor_3x33L
著者Hallinan, J.P, Bradley, P, Stoddard, B.L.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.854 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
4YY5
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BU of 4yy5 by Molmil
Computationally designed left-handed alpha/alpha toroid with 3 repeats in space group P43212
分子名称: dTor_3x33L
著者Hallinan, J.P, Bradley, P, Stoddard, B.L.
登録日2015-03-23
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Rational design of alpha-helical tandem repeat proteins with closed architectures.
Nature, 528, 2015
7T8K
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BU of 7t8k by Molmil
BrxR from Acinetobacter BREX type I phage restriction system bound to DNA
分子名称: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION, ...
著者Doyle, L, Kaiser, B, Stoddard, B.
登録日2021-12-16
公開日2022-05-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
7T8L
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BU of 7t8l by Molmil
BrxR from Acinetobacter BREX type I phage restriction system
分子名称: 1,2-ETHANEDIOL, BrxR, CHLORIDE ION
著者Doyle, L, Kaiser, B, Stoddard, B.
登録日2021-12-16
公開日2022-05-18
最終更新日2022-06-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and characterization of the WYL BrxR protein and its gene as separable regulatory elements of a BREX phage restriction system.
Nucleic Acids Res., 50, 2022
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
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
5D9K
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BU of 5d9k by Molmil
Rsk2 N-terminal Kinase in Complex with BI-D1870
分子名称: (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
5D9L
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BU of 5d9l by Molmil
Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole
分子名称: 4,4'-(1H-pyrazole-3,4-diyl)diphenol, GLYCEROL, Ribosomal protein S6 kinase alpha-3
著者Appleton, B.A.
登録日2015-08-18
公開日2015-09-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of Potent and Selective RSK Inhibitors as Biological Probes.
J.Med.Chem., 58, 2015
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
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
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
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
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
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

 

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