PDB: 283 件ウェブページステータス検索Chemie searchBIRD

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8OII	Cryo-EM KSB domain of RhiE from Burkholderia rhizoxinica 分子名称: RhiE protein,Polyketide synthase domain protein RhiE 著者 Capper, M.J, Koehnke, J. 登録日 2023-03-22 公開日 2024-04-03 実験手法 ELECTRON MICROSCOPY (2.84 Å) 主引用文献 Structural Analysis of a Chain-Branching Polyketide Synthase Module To Be Published
8R1V	Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Yadrykhinsky, V, Brenk, R. 登録日 2023-11-02 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.087 Å) 主引用文献 Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection Rsc Med Chem, 2024
8R0I	Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide 分子名称: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... 著者 Yadrykhinsky, V, Brenk, R. 登録日 2023-10-31 公開日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection Rsc Med Chem, 2024
8CG5	The ACP crosslinked to the KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT) 分子名称: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide 著者 Munoz-Hernandez, H, Tittes, Y.U, Maier, T. 登録日 2023-02-03 公開日 2024-02-21 実験手法 ELECTRON MICROSCOPY (2.7 Å) 主引用文献 CryoEM structure of ACP crosslinked to KS of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS:ACP-MAT) at 2.7 Angstroms resolution To Be Published
8CG4	The organise full-length structure of the fungal non-reducing polyketide synthase (NR-PKS) PksA 分子名称: Norsolorinic acid synthase 著者 Munoz-Hernandez, H, Maier, T. 登録日 2023-02-03 公開日 2024-02-21 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 CryoEM structure of the Aspergilus sp. fungal non-reducing polyketide synthase (NR-PKS) PksA at 2.6 Angstroms resolution To Be Published
8CG6	The ACP crosslinked to the SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) 分子名称: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide 著者 Munoz-Hernandez, H, Tittes, Y.U, Maier, T. 登録日 2023-02-03 公開日 2024-02-21 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 CryoEM structure of ACP crosslinked to SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) at 3.4 Angstroms resolution To Be Published
8PJ0	Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Georgiou, C, Brenk, R, Espeland, L.O. 登録日 2023-06-22 公開日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Design, Quality and Validation of the EU-OPENSCREEN Fragment Library Poised to a High-Throughput Screening Collection Rsc Med Chem, 2024
8BY8	The cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS-MAT) 分子名称: Non-reducing polyketide synthase CTB1 著者 Munoz-Hernandez, H, Maier, T. 登録日 2022-12-12 公開日 2024-01-10 実験手法 ELECTRON MICROSCOPY (2.5 Å) 主引用文献 The cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (SAT-KS-MAT) at 2.5 Angstroms resolution To Be Published
8CNG	Pa.FabF-C164Q in complex with ~{N}-cyclopentyl-3-methyl-1~{H}-pyrazole-5-carboxamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... 著者 Georgiou, C, Brenk, R. 登録日 2023-02-22 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CNE	Pa.FabF-C164A in complex with N-(propan-2-yl)-1H-pyrazole-3-carboxamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... 著者 Georgiou, C, Brenk, R, Espeland, L.O. 登録日 2023-02-22 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CN8	apo Pseudomonas aeruginosa FabF C164A mutant 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2 著者 Georgiou, C, Brenk, R, Espeland, L.O. 登録日 2023-02-22 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8COU	Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid 分子名称: 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... 著者 Georgiou, C, Brenk, R. 登録日 2023-02-28 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CN4	Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ... 著者 Georgiou, C, Brenk, R. 登録日 2023-02-21 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CN2	Pa.FabF-C164Q in complex with N-isobutyl-1H-pyrazole-3-carboxamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide 著者 Georgiou, C, Brenk, R. 登録日 2023-02-21 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CN7	Pa.FabF-C164Q in complex with platencin 分子名称: 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE 著者 Georgiou, C, Brenk, R. 登録日 2023-02-22 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8COV	Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ... 著者 Georgiou, C, Brenk, R, Espeland, L.O. 登録日 2023-02-28 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8CN5	Pa.FabF-C164Q in complex with propan-2-yl 1~{H}-pyrazole-3-carboxylate 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... 著者 Georgiou, C, Brenk, R. 登録日 2023-02-22 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.93 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8PD1	Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. 登録日 2023-06-11 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8PFZ	Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid 分子名称: (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ... 著者 Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. 登録日 2023-06-17 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8QM1	wild type Pa.FabF in complex cerulenin 分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... 著者 Georgiou, C, Brenk, R, Espeland, L.O. 登録日 2023-09-21 公開日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8QER	Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid 分子名称: (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... 著者 Yadrykhins'ky, V, Brenk, R, Georgiou, C. 登録日 2023-09-01 公開日 2024-01-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
5SNK	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434941 分子名称: (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... 著者 Brenk, R, Georgiou, C. 登録日 2022-05-30 公開日 2023-12-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 PanDDA analysis group deposition Chemrxiv, 2023
5SNC	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z768399682 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... 著者 Brenk, R, Georgiou, C. 登録日 2022-05-30 公開日 2023-12-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 PanDDA analysis group deposition Chemrxiv, 2023
5SNY	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1827602749 分子名称: (2S,3S)-3-methyl-N-(1,2,3-thiadiazol-5-yl)tetrahydrofuran-2-carboxamide (non-preferred name), 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... 著者 Brenk, R, Georgiou, C. 登録日 2022-05-30 公開日 2023-12-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 PanDDA analysis group deposition Chemrxiv, 2023
5SN6	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... 著者 Brenk, R, Georgiou, C. 登録日 2022-05-30 公開日 2023-12-20 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 PanDDA analysis group deposition Chemrxiv, 2023

 

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