PDB: 5725 件ウェブページステータス検索Chemie searchBIRD

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8PBO	Deep interactome learning for generative drug design 分子名称: 3-[2-fluoranyl-4-[3-[2-fluoranyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]propoxy]phenyl]propanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... 著者 Hakansson, M, Focht, D, Atz, K, Schneider, G. 登録日 2023-06-09 公開日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Prospective de novo drug design with deep interactome learning. Nat Commun, 15, 2024
7XD9	Crystal Structure of Dengue Virus serotype 2 (DENV2) Polymerase Elongation Complex (CTP Form) 分子名称: CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... 著者 Wu, J, Wang, X, Gong, P. 登録日 2022-03-26 公開日 2022-12-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Structural basis of transition from initiation to elongation in de novo viral RNA-dependent RNA polymerases. Proc.Natl.Acad.Sci.USA, 120, 2023
7XD8	Crystal Structure of Dengue Virus Serotype 2 (DENV2) Polymerase Elongation Complex (Native Form) 分子名称: GLYCEROL, NS5, RNA (30-mer), ... 著者 Wu, J, Wang, X, Gong, P. 登録日 2022-03-26 公開日 2022-12-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Structural basis of transition from initiation to elongation in de novo viral RNA-dependent RNA polymerases. Proc.Natl.Acad.Sci.USA, 120, 2023
2MN4	NMR solution structure of a computational designed protein based on structure template 1cy5 分子名称: Computational designed protein based on structure template 1cy5 著者 Xiong, P, Wang, M, Zhang, J, Chen, Q, Liu, H. 登録日 2014-03-28 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 Protein design with a comprehensive statistical energy function and boosted by experimental selection for foldability Nat Commun, 5, 2014
7BQE	Solution NMR structure of NF3; de novo designed protein with a novel fold 分子名称: NF3 著者 Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. 登録日 2020-03-24 公開日 2021-03-24 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
7BQB	Solution NMR structure of NF6; de novo designed protein with a novel fold 分子名称: NF6 著者 Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, G, Koga, N. 登録日 2020-03-24 公開日 2021-03-24 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
7BQC	Solution NMR structure of NF4; de novo designed protein with a novel fold 分子名称: NF4 著者 Kobayashi, N, Nagashima, T, Minami, S, Koga, R, Chikenji, T, Koga, N. 登録日 2020-03-24 公開日 2021-03-24 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
4ZV6	Crystal structure of the artificial alpharep-7 octarellinV.1 complex 分子名称: AlphaRep-7, Octarellin V.1 著者 Figueroa, M, Sleutel, M, Urvoas, A, Valerio-Lepiniec, M, Minard, P, Martial, J.A, van de Weerdt, C. 登録日 2015-05-18 公開日 2016-05-25 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools. J.Struct.Biol., 195, 2016
6DHY	Crystallogrpahic tetramer of Zn-bound RIDC1 variant bearing two disulfide bonded cysteines 分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562, ... 著者 Tezcan, F.A, Churchfield, L.A. 登録日 2018-05-21 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly. J. Am. Chem. Soc., 140, 2018
6DHZ	Crystallographic octamer of a metal-free RIDC1 variant bearing two disulfide bonded cysteines 分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562 著者 Tezcan, F.A, Churchfield, L.A. 登録日 2018-05-21 公開日 2018-07-25 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Determining the Structural and Energetic Basis of Allostery in a De Novo Designed Metalloprotein Assembly. J. Am. Chem. Soc., 140, 2018
6I37	Crystal structure of nv1Pizza6-AYW, a circularly permuted designer protein 分子名称: SULFATE ION, nv1Pizza6-AYW 著者 Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. 登録日 2018-11-05 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
6I39	Crystal structure of v31Pizza6-AYW, a circularly permuted designer protein 分子名称: MAGNESIUM ION, v31Pizza6-AYW 著者 Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. 登録日 2018-11-05 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
6I38	Crystal structure of nv2Pizza6-AYW, a circularly permuted designer protein 分子名称: nv2Pizza6-AYW 著者 Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. 登録日 2018-11-05 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
6I3B	Crystal structure of cPizza6-AYW, a circularly permuted designer protein 分子名称: cPizza6-AYW 著者 Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. 登録日 2018-11-05 公開日 2019-11-20 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
6I3A	Crystal structure of v22Pizza6-AYW, a circularly permuted designer protein 分子名称: BROMIDE ION, v22Pizza6-AYW 著者 Mylemans, B, Noguchi, H, Deridder, E, Voet, A.R.D. 登録日 2018-11-05 公開日 2019-11-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Influence of circular permutations on the structure and stability of a six-fold circular symmetric designer protein. Protein Sci., 2020
7RDH	Crystal structure of the de novo designed binding protein H3mb in complex with the 1968 influenza A virus hemagglutinin 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, De novo designed protein H3mb, ... 著者 Kadam, R.U, Wilson, I.A. 登録日 2021-07-09 公開日 2022-05-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.75 Å) 主引用文献 Design of protein-binding proteins from the target structure alone. Nature, 605, 2022
7BIG	Crystal structure of v13WRAP-T, a 7-bladed designer protein 分子名称: CHLORIDE ION, v13WRAP-T 著者 Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. 登録日 2021-01-12 公開日 2021-09-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
7BID	Crystal structure of v31WRAP-T, a 7-bladed designer protein 分子名称: v31WRAP-T 著者 Laier, I, Mylemans, B, Lee, X.Y, Voet, A.R.D. 登録日 2021-01-12 公開日 2021-09-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
7BIF	Crystal structure of v22WRAP-T, a 7-bladed designer protein 分子名称: v22WRAP-T 著者 Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D. 登録日 2021-01-12 公開日 2021-09-22 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Structure and stability of the designer protein WRAP-T and its permutants. Sci Rep, 11, 2021
5KB2	Crystal Structure of a Tris-thiolate Zn(II)S3O Complex in a de Novo Three-stranded Coiled Coil Peptide 分子名称: ZINC ION, Zn(II)(H2O)(GRAND Coil Ser-L12AL16C)3- 著者 Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. 登録日 2016-06-02 公開日 2016-08-31 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
5KB0	Crystal Structure of a Tris-thiolate Pb(II) Complex in a de Novo Three-stranded Coiled Coil Peptide 分子名称: CHLORIDE ION, LEAD (II) ION, Pb(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, ... 著者 Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. 登録日 2016-06-02 公開日 2016-08-31 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
5KB1	Crystal Structure of a Tris-thiolate Hg(II) Complex in a de Novo Three Stranded Coiled Coil Peptide 分子名称: CHLORIDE ION, Hg(II)Zn(II)(GRAND Coil Ser-L16CL30H)3+, MERCURY (II) ION, ... 著者 Ruckcthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. 登録日 2016-06-02 公開日 2016-08-31 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
5K92	Crystal Structure of an apo Tris-thiolate Binding Site in a de novo Three Stranded Coiled Coil Peptide 分子名称: Apo-(CSL16C)3, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Ruckthong, L, Zastrow, M.L, Stuckey, J.A, Pecoraro, V.L. 登録日 2016-05-31 公開日 2016-08-31 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 A Crystallographic Examination of Predisposition versus Preorganization in de Novo Designed Metalloproteins. J.Am.Chem.Soc., 138, 2016
7BPN	Solution NMR structure of NF7; de novo designed protein with a novel fold 分子名称: NF7 著者 Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. 登録日 2020-03-23 公開日 2021-03-24 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
7BPP	Solution NMR structure of NF5; de novo designed protein with a novel fold 分子名称: NF5 著者 Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. 登録日 2020-03-23 公開日 2021-03-24 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023

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