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PDB: 62 件
8QM1
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BU of 8qm1 by Molmil
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
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BU of 8qer by Molmil
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
8PD1
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BU of 8pd1 by Molmil
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
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BU of 8pfz by Molmil
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
8COV
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BU of 8cov by Molmil
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
8COU
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BU of 8cou by Molmil
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
8CN2
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BU of 8cn2 by Molmil
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
8CN8
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BU of 8cn8 by Molmil
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
8CNE
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BU of 8cne by Molmil
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
8CN4
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BU of 8cn4 by Molmil
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
8CNG
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BU of 8cng by Molmil
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
8CN5
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BU of 8cn5 by Molmil
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
8CN7
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BU of 8cn7 by Molmil
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
5SNB
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BU of 5snb by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172
分子名称: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, 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 (1.67 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNF
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BU of 5snf by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ...
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 (1.99 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SND
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BU of 5snd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1217960891
分子名称: (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, 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 (1.69 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNU
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BU of 5snu by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770
分子名称: 1-(3-chlorophenyl)-N-methylmethanamine, 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
5SNM
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BU of 5snm by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z135439900
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide, ...
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 (1.63 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNG
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BU of 5sng by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z383325512
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[(1H-pyrazol-4-yl)methyl]acetamide, ...
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 (1.94 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNP
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BU of 5snp by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z381729066
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(propan-2-yl)-1H-pyrazole-3-carboxamide, ...
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 (1.95 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNL
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BU of 5snl by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, 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 (2.05 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO1
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BU of 5so1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30620520
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 (2.07 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SNW
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BU of 5snw by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z730649594
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, ...
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 (1.8 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SOC
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BU of 5soc by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542
分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, 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 (1.51 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023
5SO5
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BU of 5so5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B
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 (1.68 Å)
主引用文献PanDDA analysis group deposition
Chemrxiv, 2023

 

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件を2024-06-12に公開中

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