PDB: 2718 件ウェブページステータス検索Chemie searchBIRD

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5QTK	T. brucei FPPS in complex with CID 69539 分子名称: Farnesyl pyrophosphate synthase, N,N-diethyl-4-methylbenzene-1-sulfonamide, PHOSPHATE ION, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. 登録日 2019-08-09 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.857 Å) 主引用文献 T. brucei FPPS in complex with CID 69539 To Be Published
5QT6	T. brucei FPPS in complex with CID 112445 分子名称: 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-08-07 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.189 Å) 主引用文献 T. brucei FPPS in complex with CID 112445 To Be Published
5QPQ	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000631a 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 (1.49 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QQ8	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000563a 分子名称: 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione, 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 (1.62 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QT7	T. brucei FPPS in complex with CID 66669982 分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-08-07 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.292 Å) 主引用文献 T. brucei FPPS in complex with CID 66669982 To Be Published
5QTG	T. brucei FPPS in complex with CID 126782062 分子名称: 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Farnesyl pyrophosphate synthase, GLYCEROL, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. 登録日 2019-08-09 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.093 Å) 主引用文献 T. brucei FPPS in complex with CID 126782062 To Be Published
5QPL	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000464a 分子名称: ACETATE ION, Farnesyl diphosphate synthase, N-[(2S)-2-hydroxypropyl]-N'-phenylurea, ... 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 2019-04-04 公開日 2020-04-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QTF	T. brucei FPPS in complex with CID 144539 分子名称: 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. 登録日 2019-08-09 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.783 Å) 主引用文献 T. brucei FPPS in complex with CID 144539 To Be Published
6R4V	Crystal structure of human geranylgeranyl diphosphate synthase bound to ibandronate 分子名称: GLYCEROL, Geranylgeranyl pyrophosphate synthase, IBANDRONATE, ... 著者 Lisnyansky, M, Giladi, M, Haitin, Y. 登録日 2019-03-24 公開日 2019-09-18 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.202 Å) 主引用文献 Metal Coordination Is Crucial for Geranylgeranyl Diphosphate Synthase-Bisphosphonate Interactions: A Crystallographic and Computational Analysis. Mol.Pharmacol., 96, 2019
5QTH	T. brucei FPPS in complex with CID 2799882 分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, N,N-dimethyl-2-(methylsulfanyl)pyridine-3-carboxamide, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. 登録日 2019-08-09 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.887 Å) 主引用文献 T. brucei FPPS in complex with CID 2799882 To Be Published
5QT9	T. brucei FPPS in complex with CID 23155989 分子名称: (1S)-3-chloro-1-(4-methylpiperazin-1-yl)-1,4-dihydroisoquinoline, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-08-07 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.199 Å) 主引用文献 T. brucei FPPS in complex with CID 23155989 To Be Published
5QTI	T. brucei FPPS in complex with CID 62483448 分子名称: 3-(2-bromophenoxy)pyridazine, Farnesyl pyrophosphate synthase, GLYCEROL, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. 登録日 2019-08-09 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.112 Å) 主引用文献 T. brucei FPPS in complex with CID 62483448 To Be Published
5QTB	T. brucei FPPS in complex with CID 303798 分子名称: DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-08-07 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.965 Å) 主引用文献 T. brucei FPPS in complex with CID 303798 To Be Published
5QTJ	T. brucei FPPS in complex with CID 47256035 分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W. 登録日 2019-08-09 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.101 Å) 主引用文献 T. brucei FPPS in complex with CID 47256035 To Be Published
5QTA	T. brucei FPPS in complex with CID 2804072 分子名称: 1,3-dichloro-2-[(methylsulfonyl)methyl]benzene, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... 著者 Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. 登録日 2019-08-07 公開日 2020-10-07 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.113 Å) 主引用文献 T. brucei FPPS in complex with CID 2804072 To Be Published
6SDO	Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np 分子名称: 3-nitrophenol, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Magari, F, Heine, A, Klebe, G. 登録日 2019-07-29 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Trypanosoma cruzi farnesyl diphosphate synthase in complex with 3np To Be Published
6SDN	Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82 分子名称: 4-NITROCATECHOL, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Magari, F, Heine, A, Klebe, G. 登録日 2019-07-29 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82 To Be Published
3M5P	Glucose-6-phosphate isomerase from Francisella tularensis complexed with fructose-6-phosphate. 分子名称: 6-O-phosphono-beta-D-fructofuranose, GLYCEROL, Glucose-6-phosphate isomerase, ... 著者 Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2010-03-12 公開日 2010-03-23 最終更新日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 X-ray crystal structure of glucose-6-phosphate isomerase from Francisella tularensis complexed with fructose-6-phosphate. To be Published
3MRV	Glycogen phosphorylase complexed with 3-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone 分子名称: DIMETHYL SULFOXIDE, Glycogen phosphorylase, muscle form, ... 著者 Alexacou, K.-M. 登録日 2010-04-29 公開日 2011-01-05 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors Bioorg.Med.Chem., 18, 2010
3MT8	Glycogen phosphorylase complexed with 4-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone 分子名称: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine 著者 Alexacou, K.-M. 登録日 2010-04-30 公開日 2011-01-05 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors Bioorg.Med.Chem., 18, 2010
6SFA	Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions 分子名称: Farnesyl diphosphate synthase, MANGANESE (II) ION, SULFATE ION 著者 Magari, F, Heine, A, Klebe, G. 登録日 2019-08-01 公開日 2020-08-26 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Trypanosoma cruzi farnesyl diphosphate synthase apo structure with Mn ions To Be Published
5R87	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z44592329 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, N-phenyl-N'-pyridin-3-ylurea, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5R8L	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1891773393 in complex with INTERLEUKIN-1 BETA 分子名称: Interleukin-1 beta, N-{4-[(1S)-1-aminoethyl]phenyl}cyclopropanecarboxamide, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SDQ	Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n 分子名称: 2-methoxy-5-nitro-phenol, Farnesyl diphosphate synthase, SULFATE ION, ... 著者 Magari, F, Heine, A, Klebe, G. 登録日 2019-07-29 公開日 2020-08-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment 2m5n To Be Published
6SI5	T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one 分子名称: 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION 著者 Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W. 登録日 2019-08-08 公開日 2020-08-26 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.097 Å) 主引用文献 Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery Thesis, 2019

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