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PDB: 776 results

8B63
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Crystal Structure of P. aeruginosa WaaG in complex with UDP-GalNAc
Descriptor: ACETATE ION, UDP-glucose:(Heptosyl) LPS alpha 1,3-glucosyltransferase WaaG, URIDINE-5'-DIPHOSPHATE, ...
Authors:Scaletti, E, Gustafsson Westergren, R, Stenmark, P.
Deposit date:2022-09-25
Release date:2023-10-04
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional insights into the Pseudomonas aeruginosa glycosyltransferase WaaG and the implications for lipopolysaccharide biosynthesis.
J.Biol.Chem., 299, 2023
8CN7
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BU of 8cn7 by Molmil
Pa.FabF-C164Q in complex with platencin
Descriptor: 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
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.93 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ~{N}-(2-methylpropyl)-1~{H}-pyrazole-3-carboxamide
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R.
Deposit date:2023-02-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-02-22
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
7ZYI
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BU of 7zyi by Molmil
Structure of the human sodium/bile acid cotransporter (NTCP) in complex with Fab and nanobody
Descriptor: CHOLESTEROL, GLYCOCHENODEOXYCHOLIC ACID, Nanobody, ...
Authors:Liu, H, Irobalieva, R.N, Bang-Sorensen, R, Nosol, K, Mukherjee, S, Agrawal, P, Stieger, B, Kossiakoff, A.A, Locher, K.P.
Deposit date:2022-05-24
Release date:2022-07-13
Last modified:2022-08-10
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite:Structure of human NTCP reveals the basis of recognition and sodium-driven transport of bile salts into the liver.
Cell Res., 32, 2022
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
Descriptor: (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ...
Authors:Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
Deposit date:2023-06-17
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
Deposit date:2023-06-11
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8QM1
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BU of 8qm1 by Molmil
wild type Pa.FabF in complex cerulenin
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-09-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhins'ky, V, Brenk, R, Georgiou, C.
Deposit date:2023-09-01
Release date:2024-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8R1V
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BU of 8r1v by Molmil
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
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-11-02
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8R0I
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BU of 8r0i by Molmil
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
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
7OC1
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BU of 7oc1 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
Deposit date:2021-04-25
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
7OC0
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BU of 7oc0 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Descriptor: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O, Klein, R.
Deposit date:2021-04-25
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Chemmedchem, 16, 2021
7QNF
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BU of 7qnf by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ...
Authors:Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
Deposit date:2021-12-20
Release date:2022-10-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structures of lactaldehyde reductase, FucO, link enzyme activity to hydrogen bond networks and conformational dynamics.
Febs J., 290, 2023
6WMP
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BU of 6wmp by Molmil
F. tularensis RNAPs70-iglA DNA complex
Descriptor: DNA NT-strand, DNA T-strand, DNA-directed RNA polymerase subunit alpha 1, ...
Authors:Travis, B.A, Brennan, R.G, Schumacher, M.A.
Deposit date:2020-04-21
Release date:2020-11-11
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural Basis for Virulence Activation of Francisella tularensis.
Mol.Cell, 81, 2021
7QLS
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BU of 7qls by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE
Descriptor: 2-(3,4-dimethoxyphenyl)ethanamide, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ...
Authors:Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QNH
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BU of 7qnh by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ...
Authors:Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QLQ
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BU of 7qlq by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE
Descriptor: 2-(3,4-dimethoxyphenyl)ethanamide, ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ...
Authors:Sridhar, S, Kiema, T.R, Widersten, M, Wierenga, R.K.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QLG
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BU of 7qlg by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ...
Authors:Sridhar, S, Kiema, T.R, Widertsen, M, Wierenga, R.K.
Deposit date:2021-12-20
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023

221716

数据于2024-06-26公开中

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