PDB: 6485 件ウェブページステータス検索Chemie searchBIRD

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7FIX	Cryo-EM structure of cyanobacterial photosystem I in the presence of ferredoxin and cytochrome c6 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, CALCIUM ION, ... 著者 Li, J, Kurisu, G. 登録日 2021-08-01 公開日 2022-09-21 最終更新日 2022-09-28 実験手法 ELECTRON MICROSCOPY (1.97 Å) 主引用文献 Structure of cyanobacterial photosystem I complexed with ferredoxin at 1.97 angstrom resolution. Commun Biol, 5, 2022
6NNR	high-resolution structure of wild-type E. coli thymidylate synthase 分子名称: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-deoxy-5'-uridylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Stroud, R.M, Finer-Moore, J. 登録日 2019-01-15 公開日 2019-01-30 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Mg2+ binds to the surface of thymidylate synthase and affects hydride transfer at the interior active site. J. Am. Chem. Soc., 135, 2013
8OQL	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-1 分子名称: 3-hydroxyacyl-CoA dehydrogenase, FORMAMIDE, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OPU	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Sulfamethoxazole (Fragment-B-E1) 分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-10 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.04 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OPW	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Caffeine (Fragment-B-51) 分子名称: 3-hydroxyacyl-CoA dehydrogenase, CAFFEINE, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-10 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.52 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OPY	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 6,7-DINITROQUINOXALINE-2,3-DIONE, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-10 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQN	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-53 分子名称: 1-benzyl-1H-pyrazole-4-carboxylic acid, 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
5QPS	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000644a 分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
7PBW	Cryo-EM structure of light harvesting complex 2 from Rba. sphaeroides. 分子名称: BACTERIOCHLOROPHYLL A, CALCIUM ION, LAURYL DIMETHYLAMINE-N-OXIDE, ... 著者 Qian, P, Swainsbury, D.J.K, Croll, T.I, Castro-Hartmann, P, Sader, K, Divitini, G, Hunter, C.N. 登録日 2021-08-02 公開日 2021-11-24 最終更新日 2022-12-07 実験手法 ELECTRON MICROSCOPY (2.1 Å) 主引用文献 Cryo-EM Structure of the Rhodobacter sphaeroides Light-Harvesting 2 Complex at 2.1 angstrom. Biochemistry, 60, 2021
5QQ3	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000672a 分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QQA	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000648a 分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
7AJT	Cryo-EM structure of the 90S-exosome super-complex (state Pre-A1-exosome) 分子名称: 13 kDa ribonucleoprotein-associated protein, 18S rRNA, 40S ribosomal protein S1-A, ... 著者 Cheng, J, Lau, B, Flemming, D, Venuta, G.L, Berninghausen, O, Beckmann, R, Hurt, E. 登録日 2020-09-29 公開日 2020-12-30 最終更新日 2021-02-03 実験手法 ELECTRON MICROSCOPY (4.6 Å) 主引用文献 Structure of the Maturing 90S Pre-ribosome in Association with the RNA Exosome. Mol.Cell, 81, 2021
8OPV	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Resveratrol (Fragment-B-H11) 分子名称: 3-hydroxyacyl-CoA dehydrogenase, GLYCEROL, Putative acyltransferase Rv0859, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-10 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
8OQM	Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-10 分子名称: 3-hydroxyacyl-CoA dehydrogenase, 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid, GLYCEROL, ... 著者 Dalwani, S, Wierenga, R.K, Venkatesan, R. 登録日 2023-04-12 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystallographic fragment binding studies of the Mycobacterium tuberculosis trifunctional enzyme suggest binding pockets for the tails of the acyl-CoA substrates at its active sites and a potential substrate channeling path between them Biorxiv, 2024
7AGQ	Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis 分子名称: ACETATE ION, GLYCEROL, Mycocerosic acid synthase 著者 Brison, Y, Mourey, L, Maveyraud, L. 登録日 2020-09-23 公開日 2020-12-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases. Acs Chem.Biol., 15, 2020
5QPK	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000586a 分子名称: ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QQC	Crystal Structure of T. cruzi FPPS after initial refinement with no ligand modelled (structure $n) 分子名称: ACETATE ION, Farnesyl diphosphate synthase, MAGNESIUM ION, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-14 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 PanDDA analysis group deposition of ground-state model - FPPS screened against the DSI Fragment Library To Be Published
7FEA	PY14 in complex with Col-D 分子名称: (6~{R},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid, Acetyl-CoA C-acyltransferase 著者 Lin, C.C, Ko, T.P, Huang, K.F, Yang, Y.L. 登録日 2021-07-19 公開日 2022-07-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Integrated omics approach to unveil antifungal bacterial polyynes as acetyl-CoA acetyltransferase inhibitors. Commun Biol, 5, 2022
8K20	Cryo-EM structure of KEOPS complex from Arabidopsis thaliana 分子名称: At4g34412, At5g53043, FE (III) ION, ... 著者 Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H. 登録日 2023-07-11 公開日 2024-04-03 最終更新日 2024-05-22 実験手法 ELECTRON MICROSCOPY (3.7 Å) 主引用文献 Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A. Nucleic Acids Res., 52, 2024
7P11	Galectin-8 N-terminal carbohydrate recognition domain in complex with quinoline D-galactal ligand 分子名称: 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid, CHLORIDE ION, Galectin-8, ... 著者 Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R. 登録日 2021-07-01 公開日 2021-12-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain. Acs Med.Chem.Lett., 12, 2021
5QPF	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000478a 分子名称: 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QPW	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000632a 分子名称: 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one, ACETATE ION, Farnesyl diphosphate synthase, ... 著者 Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. 登録日 2019-03-12 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
8BBP	Crystal structure of feruloyl esterase wtsFae1B 分子名称: 1,2-ETHANEDIOL, Ferulic acid esterase 著者 Wilkens, C. 登録日 2022-10-14 公開日 2022-11-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.07 Å) 主引用文献 Crystal structure of feruloyl esterase wtsFae1B To Be Published
8BF3	Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose 分子名称: 1,2-ETHANEDIOL, Ferulic acid esterase, beta-D-xylopyranose, ... 著者 Wilkens, C. 登録日 2022-10-23 公開日 2022-11-30 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.19 Å) 主引用文献 Crystal structure of feruloyl esterase wtsFae1B in complex with xylobiose To Be Published
7P1M	Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand 分子名称: 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid, CHLORIDE ION, Galectin-8 著者 Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R. 登録日 2021-07-02 公開日 2021-12-15 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain. Acs Med.Chem.Lett., 12, 2021

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