PDB: 5630 件ウェブページステータス検索Chemie searchBIRD

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6WXO	De novo TIM barrel-ferredoxin fold fusion homodimer with 2-histidine 2-glutamate centre TFD-HE 分子名称: GLYCEROL, SULFATE ION, TFD-HE 著者 Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. 登録日 2020-05-11 公開日 2020-11-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
6WXP	De novo TIM barrel-ferredoxin fold fusion homodimer with 4-glutamate centre TFD-EE 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, TFD-EE 著者 Caldwell, S.J, Zeymer, C, Haydon, I.C, Huang, P, Hilvert, D, Baker, D. 登録日 2020-05-11 公開日 2020-11-25 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
7UEK	Crystal structure of a de novo designed ovoid TIM barrel OT3 分子名称: OT3 著者 Chu, A.E, Fernandez, D, Huang, P.-S. 登録日 2022-03-21 公開日 2023-01-18 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 De Novo Design of a Highly Stable Ovoid TIM Barrel: Unlocking Pocket Shape towards Functional Design. Biodes Res, 2022, 2022
7Q1R	A de novo designed homo-dimeric antiparallel coiled coil apCC-Di 分子名称: ETHANOL, SODIUM ION, apCC-Di 著者 Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. 登録日 2021-10-20 公開日 2022-07-20 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.08 Å) 主引用文献 De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
7Q1S	A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB_var 分子名称: 1,2-ETHANEDIOL, apCC-Di-A_var, apCC-Di-B_var 著者 Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. 登録日 2021-10-20 公開日 2022-07-20 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
7Q1T	A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB 分子名称: N-PROPANOL, SULFATE ION, apCC-Di-A, ... 著者 Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B. 登録日 2021-10-20 公開日 2022-07-20 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 De novo designed peptides for cellular delivery and subcellular localisation. Nat.Chem.Biol., 18, 2022
6W90	De novo designed NTF2 fold protein NT-9 分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, NTF2 fold protein loop-helix-loop design NT-9 著者 Thompson, M.C, Pan, X, Liu, L, Fraser, J.S, Kortemme, T. 登録日 2020-03-21 公開日 2020-08-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Expanding the space of protein geometries by computational design of de novo fold families. Science, 369, 2020
8BL3	De novo single-chain immunoglobulin dimer scIg12 分子名称: GLYCEROL, scIg12 著者 Nadal, M, Roel-Touris, J, Marcos, E. 登録日 2022-11-09 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops. Nat Commun, 14, 2023
8BL6	De novo single-chain immunoglobulin dimer scIg12+EF3a 分子名称: GLYCEROL, TERBIUM(III) ION, dIG14-scdim-EF62 著者 Nadal, M, Roel-Touris, J, Marcos, E. 登録日 2022-11-09 公開日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops. Nat Commun, 14, 2023
1LQ7	De Novo Designed Protein Model of Radical Enzymes 分子名称: Alpha3W 著者 Dai, Q.-H, Tommos, C, Fuentes, E.J, Blomberg, M, Dutton, P.L, Wand, A.J. 登録日 2002-05-09 公開日 2002-06-05 最終更新日 2024-05-22 実験手法 SOLUTION NMR 主引用文献 Structure of a De Novo Designed Protein Model of Radical Enzymes J.Am.Chem.Soc., 124, 2002
5E6G	Crystal Structure of De Novo Designed Protein CA01 分子名称: De novo designed protein CA01, GLYCEROL, PHOSPHATE ION 著者 Jacobs, T.M, Williams, T, Kuhlman, B. 登録日 2015-10-09 公開日 2016-05-18 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Design of structurally distinct proteins using strategies inspired by evolution. Science, 352, 2016
4KY3	Three-dimensional Structure of the orthorhombic crystal of computationally designed insertion domain , Northeast Structural Genomics Consortium (NESG) Target OR327 分子名称: designed protein OR327 著者 Kuzin, A, Su, M, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Gleixner, J, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) 登録日 2013-05-28 公開日 2013-06-19 最終更新日 2016-02-17 実験手法 X-RAY DIFFRACTION (2.964 Å) 主引用文献 Precise assembly of complex beta sheet topologies from de novo designed building blocks. Elife, 4, 2015
7TJL	Crystal structure of de novo designed protein, SEWN0.1 分子名称: De novo designed protein, SEWN0.1 著者 Cummins, M.C, Jacobs, T.M, Kuhlman, B. 登録日 2022-01-16 公開日 2022-06-29 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 AlphaFold accurately predicts distinct conformations based on the oligomeric state of a de novo designed protein Protein Sci., 31, 2022
7DGW	De novo designed protein H4A2S 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, de novo designed protein H4A2S 著者 Xu, Y, Liao, S, Chen, Q, Liu, H. 登録日 2020-11-12 公開日 2021-11-24 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 A backbone-centred energy function of neural networks for protein design. Nature, 602, 2022
2N75	Solution NMR Structure of De novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 分子名称: De novo designed protein 著者 Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2015-09-03 公開日 2016-01-27 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of De novo designed protein, Rossmann2x2 Fold, Northeast Structural Genomics Consortium (NESG) Target OR446 To be Published
2LRH	Solution NMR structure of de novo designed protein, p-loop ntpase fold, Northeast Structural Genomics Consortium target or137 分子名称: De novo designed protein 著者 Liu, G, Koga, N, Koga, R, Xiao, R, Lee, H, Janjua, H, Kohan, E, Acton, T.B, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2012-03-30 公開日 2012-07-04 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution NMR structure of de novo designed protein, p-loop ntpase fold, Northeast Structural Genomics Consortium target or137 To be Published
6XEH	Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386 分子名称: DE NOVO DESIGNED OR386 著者 Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2020-06-12 公開日 2020-08-05 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures To Be Published
6X8N	Crystal Structure of H49A ABLE mutant 分子名称: De novo designed ABLE protein 著者 Polizzi, N.F. 登録日 2020-06-01 公開日 2020-08-26 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A defined structural unit enables de novo design of small-molecule-binding proteins. Science, 369, 2020
2MTL	Solution NMR Structure of De novo designed FR55, Northeast Structural Genomics Consortium (NESG) Target OR109 分子名称: De novo designed protein FR55 OR109 著者 Liu, G, Koga, N, Koga, R, Xiao, R, Hamilton, K, Ciccosanti, C, Sahdev, S, Kohan, E, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2014-08-19 公開日 2014-10-29 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Solution NMR Structure of De novo designed FR55, Northeast Structural Genomics Consortium (NESG) Target OR109 To be Published
8AH9	De novo retro-aldolase RAbetaB-16.1 分子名称: BENZOIC ACID, RAbetaB-16.1 著者 Mittl, P, Oualb Chaib, A, Hilvert, D. 登録日 2022-07-21 公開日 2023-08-16 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.747 Å) 主引用文献 Design and optimization of enzymatic activity in a de novo beta-barrel scaffold. Protein Sci., 31, 2022
7A8S	de novo designed ba8-barrel sTIM11 with an alpha-helical extension 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, sTIM11_h3 著者 Shanmugaratnam, S, Wiese, J.G, Hocker, B. 登録日 2020-08-31 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Extension of a de novo TIM barrel with a rationally designed secondary structure element. Protein Sci., 30, 2021
6ZV9	Terbium(III)-bound de novo TIM barrel-ferredoxin fold fusion dimer with 4-glutamate binding site and tryptophan antenna (TFD-EE N6W) 分子名称: 1,2-ETHANEDIOL, TERBIUM(III) ION, TFD-EE 著者 Caldwell, S, Haydon, I, Piperidou, N, Huang, P, Hilvert, D, Baker, D, Zeymer, C. 登録日 2020-07-24 公開日 2020-11-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Tight and specific lanthanide binding in a de novo TIM barrel with a large internal cavity designed by symmetric domain fusion. Proc.Natl.Acad.Sci.USA, 117, 2020
6ZT1	Two states of a de novo hexameric coiled coil assembly CC-Type2-(LaIdGe)4 分子名称: CC-Type2-(LaIdGe)4 著者 Rhys, G.G, Brady, R.L, Woolfson, D.N. 登録日 2020-07-17 公開日 2021-02-03 最終更新日 2021-04-07 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Structural resolution of switchable states of a de novo peptide assembly. Nat Commun, 12, 2021
7JH6	De novo designed two-domain di-Zn(II) and porphyrin-binding protein 分子名称: NONAETHYLENE GLYCOL, Two-domain di-Zn(II) and porphyrin-binding protein, ZINC ION, ... 著者 Schmidt, N, Liu, L, DeGrado, W.F. 登録日 2020-07-20 公開日 2020-12-09 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Allosteric cooperation in a de novo-designed two-domain protein. Proc.Natl.Acad.Sci.USA, 117, 2020
7KBQ	Solution NMR Structure of DE NOVO DESIGNED Rossmann 3x3 Fold Protein r3x3_bp3, Northeast Structural Genomics Consortium (NESG) Target OR689 分子名称: DE NOVO DESIGNED OR689 著者 Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) 登録日 2020-10-02 公開日 2021-05-19 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures To Be Published

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