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3IIV
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BU of 3iiv by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE7 KE7_R7_1/3H, MAGNESIUM ION
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIO
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BU of 3iio by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE07
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
3IIP
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BU of 3iip by Molmil
Evolutionary optimization of computationally designed enzymes: Kemp eliminases of the KE07 series
分子名称: KE7 R6 3/7F, POLYETHYLENE GLYCOL (N=34)
著者Khersonsky, O, Dym, O, Tawfik, D.S.
登録日2009-08-03
公開日2010-03-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Evolutionary Optimization of Computationally Designed Enzymes: Kemp Eliminases of the KE07 Series.
J.Mol.Biol., 396, 2010
5CY5
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BU of 5cy5 by Molmil
Crystal structure of the T33-51H designed self-assembling protein tetrahedron
分子名称: T33-51H-A, T33-51H-B
著者Cannon, K.A, Cascio, D, Park, R, Boyken, S, King, N, Yeates, T.O.
登録日2015-07-30
公開日2016-08-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
3I1C
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BU of 3i1c by Molmil
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
分子名称: Diisopropyl-fluorophosphatase, GLYCEROL
著者Lambert, A.R, Stoddard, B.L.
登録日2009-06-26
公開日2009-08-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
Science, 329, 2010
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
7Q1V
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BU of 7q1v by Molmil
Arches protomer (trimer of TrwG/VirB8peri) structure from the fully-assembled R388 type IV secretion system determined by cryo-EM.
分子名称: TrwG protein
著者Mace, K, Vadakkepat, A.K, Lukoyanova, N, Waksman, G.
登録日2021-10-21
公開日2022-06-22
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.18 Å)
主引用文献Cryo-EM structure of a type IV secretion system.
Nature, 607, 2022
7F1I
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BU of 7f1i by Molmil
Designed enzyme RA61 M48K/I72D mutant: form II
分子名称: Engineered Retroaldolase
著者Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
登録日2021-06-09
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1H
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BU of 7f1h by Molmil
Designed enzyme RA61 M48K/I72D mutant: form I
分子名称: Engineered Retroaldolase, FORMIC ACID, GLYCEROL
著者Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
登録日2021-06-09
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1J
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BU of 7f1j by Molmil
Designed enzyme RA61 M48K/I72D mutant: form III
分子名称: Engineered Retroaldolase
著者Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
登録日2021-06-09
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1K
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BU of 7f1k by Molmil
Designed enzyme RA61 M48K/I72D mutant: form IV
分子名称: Engineered Retroaldolase
著者Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
登録日2021-06-09
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
7F1L
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BU of 7f1l by Molmil
Designed enzyme RA61 M48K/I72D mutant: form V
分子名称: CHLORIDE ION, Engineered Retroaldolase, IMIDAZOLE
著者Fujioka, T, Oka, M, Numoto, N, Ito, N, Oda, M, Tanaka, F.
登録日2021-06-09
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Varying the Directionality of Protein Catalysts for Aldol and Retro-Aldol Reactions.
Chembiochem, 23, 2022
6VL5
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BU of 6vl5 by Molmil
BG505 SOSIP reconstructed from a designed tetrahedral nanoparticle, BG505 SOSIP-T33_dn2
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, BG505 SOSIP.v5.2(7S) - gp120, ...
著者Ward, A.B, Antanasijevic, A.
登録日2020-01-22
公開日2020-08-12
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
6VL6
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BU of 6vl6 by Molmil
De novo designed tetrahedral nanoparticle T33_dn2 presenting BG505 SOSIP trimers
分子名称: T33_dn2A, T33_dn2B
著者Ward, A.B, Antanasijevic, A.
登録日2020-01-22
公開日2020-08-12
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
5JG9
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BU of 5jg9 by Molmil
Crystal structure of the de novo mini protein gEHEE_06
分子名称: CHLORIDE ION, GLYCEROL, de novo design, ...
著者Rupert, P.B, Johnsen, W.A.
登録日2016-04-19
公開日2016-09-28
最終更新日2016-11-02
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
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
6VKN
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BU of 6vkn by Molmil
BG505 SOSIP.v5.2.N241.N289 in complex with rhesus macaque Fab RM19R
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Cottrell, C.A, Ward, A.B.
登録日2020-01-21
公開日2020-08-12
最終更新日2020-09-02
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Targeting HIV Env immunogens to B cell follicles in nonhuman primates through immune complex or protein nanoparticle formulations.
NPJ Vaccines, 5, 2020
5KWX
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BU of 5kwx by Molmil
NMR Solution Structure of Designed Peptide NC_EEH_D1
分子名称: Designed peptide NC_EEH_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
公開日2016-09-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6WSJ
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BU of 6wsj by Molmil
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with cyclopeptide des4.3.1
分子名称: 1,2-ETHANEDIOL, Hdac6 protein, POTASSIUM ION, ...
著者Watson, P.R, Christianson, D.W.
登録日2020-05-01
公開日2021-04-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites.
Nat Commun, 12, 2021
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
5KWO
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BU of 5kwo by Molmil
NMR Solution Structure of Designed Peptide NC_EHE_D1
分子名称: Designed peptide NC_EHE_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-18
公開日2016-09-21
最終更新日2016-11-02
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KX2
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BU of 5kx2 by Molmil
NMR Solution Structure of Designed Peptide NC_cEE_D1
分子名称: Designed peptide NC_cEE_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
公開日2016-09-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
5KWZ
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BU of 5kwz by Molmil
NMR Solution Structure of Designed Peptide NC_cHH_D1
分子名称: Designed peptide NC_cHH_D1
著者Harvey, P.J, Craik, D.J.
登録日2016-07-19
公開日2016-09-21
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Accurate de novo design of hyperstable constrained peptides.
Nature, 538, 2016
6EGC
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BU of 6egc by Molmil
Single-chain version of 2L4HC2_23 (PDB 5J0K)
分子名称: SC_2L4HC2_23
著者Bick, M.J, Chen, Z, DiMaio, F.
登録日2018-08-19
公開日2019-05-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Self-Assembling 2D Arrays with de Novo Protein Building Blocks.
J.Am.Chem.Soc., 141, 2019
3NR6
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BU of 3nr6 by Molmil
Crystal structure of xenotropic murine leukemia virus-related virus (XMRV) protease
分子名称: PHOSPHATE ION, POTASSIUM ION, Protease p14
著者Lubkowski, J, Li, M, Gustchina, A, Zhou, D, Dauter, Z, Wlodawer, A.
登録日2010-06-30
公開日2011-02-02
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of XMRV protease differs from the structures of other retropepsins.
Nat.Struct.Mol.Biol., 18, 2011

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