PDB: 98078 resultsInfo pagesStatus searchChemie searchBIRD

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4O6Q	0.95A resolution structure of the hemophore HasA from Pseudomonas aeruginosa (Y75A mutant) Descriptor: FORMIC ACID, HasAp, PROTOPORPHYRIN IX CONTAINING FE Authors: Lovell, S, Kumar, R, Battaile, K.P, Matsumura, H, Yao, H, Rodriguez, J.C, Moenne-Loccoz, P, Rivera, M. Deposit date: 2013-12-23 Release date: 2014-03-26 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (0.95 Å) Cite: Replacing the Axial Ligand Tyrosine 75 or Its Hydrogen Bond Partner Histidine 83 Minimally Affects Hemin Acquisition by the Hemophore HasAp from Pseudomonas aeruginosa. Biochemistry, 53, 2014
3NL7	Human Hemoglobin A mutant beta H63W carbonmonoxy-form Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... Authors: Birukou, I, Soman, J, Olson, J.S. Deposit date: 2010-06-21 Release date: 2010-07-14 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Blocking the gate to ligand entry in human hemoglobin. J.Biol.Chem., 286, 2011
5SNC	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z768399682 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.78 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNP	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z381729066 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(propan-2-yl)-1H-pyrazole-3-carboxamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SO4	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93A Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNB	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172 Descriptor: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.67 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNV	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z295848548 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SOE	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1429867185 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-methoxy-1H-indole, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SND	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1217960891 Descriptor: (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.69 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNR	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198195770 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(carbamoylamino)phenyl]acetamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SO9	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1622626423 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SN9	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57258487 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNS	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1354416068 Descriptor: 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (2.16 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SO7	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z219104216 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-(ethylamino)pyridine-3-carbonitrile, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNO	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z364368134 Descriptor: 3-acetamido-2-methylbenzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SO3	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNG	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z383325512 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[(1H-pyrazol-4-yl)methyl]acetamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNU	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434770 Descriptor: 1-(3-chlorophenyl)-N-methylmethanamine, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SO8	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z85895198 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-fluorobenzoyl)-N-methylglycine, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.64 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SN6	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434942 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNY	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1827602749 Descriptor: (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, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.97 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SOF	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z373768900 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNJ	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z906021418 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SNN	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1954800564 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-methoxy-1,3-benzothiazol-2-amine, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (2.08 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025
5SO5	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH93B Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2025-05-07 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion. Eur.J.Med.Chem., 291, 2025

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