2LIT
| NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states | 分子名称: | Cytochrome c iso-1, HEME C | 著者 | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | 登録日 | 2011-08-31 | 公開日 | 2011-12-07 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
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2LIR
| NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in oxidized states | 分子名称: | Cytochrome c iso-1, HEME C | 著者 | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | 登録日 | 2011-08-31 | 公開日 | 2011-12-07 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
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5J3F
| NMR solution structure of [Rp, Rp]-PT dsDNA | 分子名称: | DNA (5'-D(*CP*GP*(RSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(RSG)P*CP*CP*G)-3') | 著者 | Lan, W, Hu, Z, Cao, C. | 登録日 | 2016-03-30 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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5J3G
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5J3I
| NMR solution structure of [Sp, Sp]-PT dsDNA | 分子名称: | DNA (5'-D(*CP*GP*(SSG)P*CP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*GP*CP*GP*(SSG)P*CP*CP*G)-3') | 著者 | Lan, W, Hu, Z, Cao, C. | 登録日 | 2016-03-30 | 公開日 | 2016-11-16 | 最終更新日 | 2024-05-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural investigation into physiological DNA phosphorothioate modification Sci Rep, 6, 2016
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2FXO
| Structure of the human beta-myosin S2 fragment | 分子名称: | Myosin heavy chain, cardiac muscle beta isoform | 著者 | Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I. | 登録日 | 2006-02-06 | 公開日 | 2006-11-21 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment Proc.Natl.Acad.Sci.Usa, 103, 2006
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2FXM
| Structure of the human beta-myosin S2 fragment | 分子名称: | MERCURY (II) ION, Myosin heavy chain, cardiac muscle beta isoform | 著者 | Blankenfeldt, W, Thoma, N.H, Wray, J.S, Gautel, M, Schlichting, I. | 登録日 | 2006-02-06 | 公開日 | 2006-11-21 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Crystal structures of human cardiac {beta}-myosin II S2-{Delta} provide insight into the functional role of the S2 subfragment Proc.Natl.Acad.Sci.Usa, 103, 2006
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7N3L
| Co-complex CYP46A1 with 0420 (compound 6) | 分子名称: | 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ... | 著者 | Lane, W, Yano, J. | 登録日 | 2021-06-01 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.631 Å) | 主引用文献 | Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J.Med.Chem., 65, 2022
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7N3M
| Co-complex CYP46A1 with 0431 (compound 17) | 分子名称: | Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Lane, W, Yano, J. | 登録日 | 2021-06-01 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | 主引用文献 | Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors. J.Med.Chem., 65, 2022
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7N6F
| Co-complex CYP46A1 with compound 3f | 分子名称: | (3-fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone, 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, ... | 著者 | Lane, W, Gay, S.C. | 登録日 | 2021-06-08 | 公開日 | 2022-07-27 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Design and synthesis of aryl-piperidine derivatives as potent and selective PET tracers for cholesterol 24-hydroxylase (CH24H) Eur.J.Med.Chem., 240, 2022
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1KC1
| Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH | 分子名称: | MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | 著者 | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | 登録日 | 2001-11-07 | 公開日 | 2002-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode. Structure, 10, 2002
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1KBZ
| Crystal Structure of apo-dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) from Salmonella enterica serovar Typhimurium | 分子名称: | MAGNESIUM ION, dTDP-glucose oxidoreductase | 著者 | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | 登録日 | 2001-11-07 | 公開日 | 2002-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode. Structure, 10, 2002
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1KC3
| Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH and dTDP-L-rhamnose | 分子名称: | 2'-DEOXY-THYMIDINE-BETA-L-RHAMNOSE, MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | 登録日 | 2001-11-07 | 公開日 | 2002-06-28 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode. Structure, 10, 2002
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6YN3
| Thrombin in complex with 4-hydroxybenzamide (j89) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-10 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Thrombin in complex with 4-hydroxybenzamide (j89) To be published
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6YMP
| Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-09 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54) To be published
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6YQV
| Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-chloranylthiophene-2-sulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-18 | 公開日 | 2021-04-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thrombin in complex with 5-chlorothiophene-2-sulfonamide (j94) To be published
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6YSX
| Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Hirudin variant-2, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-04-23 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Thrombin in complex with 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide (j80) To be published
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6YSJ
| Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-1-(4-bromophenyl)ethanone, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N, Paulus, A. | 登録日 | 2020-04-22 | 公開日 | 2021-05-12 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Thrombin in complex with 2-amino-1-(4-bromophenyl)ethan-1-one (j10) To be published
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6NVX
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6NVW
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7AC9
| Thrombin in complex with D-arginine (j77) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-ARGININE, DIMETHYL SULFOXIDE, ... | 著者 | Scanlan, W, Heine, A, Klebe, G, Abazi, N. | 登録日 | 2020-09-10 | 公開日 | 2021-10-06 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.393 Å) | 主引用文献 | Thrombin in complex with D-arginine (j77) To be published
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6NVY
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6OHD
| P38 in complex with T-3220137 | 分子名称: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14 | 著者 | Lane, W, Saikatendu, K. | 登録日 | 2019-04-05 | 公開日 | 2019-11-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2. Chemmedchem, 14, 2019
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1XUB
| Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens | 分子名称: | Phenazine biosynthesis protein phzF, SULFATE ION | 著者 | Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V. | 登録日 | 2004-10-26 | 公開日 | 2004-11-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens PROC.NATL.ACAD.SCI.USA, 101, 2004
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1XUA
| Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens | 分子名称: | (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, Phenazine biosynthesis protein phzF | 著者 | Blankenfeldt, W, Kuzin, A.P, Skarina, T, Korniyenko, Y, Tong, L, Bayer, P, Janning, P, Thomashow, L.S, Mavrodi, D.V. | 登録日 | 2004-10-26 | 公開日 | 2004-11-09 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure and function of the phenazine biosynthetic protein PhzF from Pseudomonas fluorescens Proc.Natl.Acad.Sci.USA, 101, 2004
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