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6POI	Crystal Structure of EcDsbA in complex phenyl ether 25 Descriptor: (6-phenoxy-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA Authors: Ilyichova, O.V, Scanlon, M.J. Deposit date: 2019-07-04 Release date: 2019-11-06 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.77 Å) Cite: The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6POQ	Crystal Structure of EcDsbA in complex with anisidine 16 Descriptor: COPPER (II) ION, Thiol:disulfide interchange protein DsbA, {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid Authors: Ilyichova, O.V, Scanlon, M.J. Deposit date: 2019-07-04 Release date: 2019-11-06 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6PVZ	E.coli DsbA in complex with benzofuran compound 28 ((6-benzyl-1-benzofuran-3-yl)acetic acid) Descriptor: (6-benzyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, Thiol:disulfide interchange protein DsbA Authors: Wang, G, Heras, B. Deposit date: 2019-07-21 Release date: 2019-12-25 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.99 Å) Cite: The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
6PVY	E.coli DsbA in complex with benzofuran compound 26 ([6-(3-methoxyphenoxy)-1-benzofuran-3-yl]acetic acid) Descriptor: COPPER (II) ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... Authors: Wang, G, Heras, B. Deposit date: 2019-07-21 Release date: 2019-12-25 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.74 Å) Cite: The Fragment-Based Development of a Benzofuran Hit as a New Class of Escherichia coli DsbA Inhibitors. Molecules, 24, 2019
5QKC	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A1_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.146 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKS	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A8_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.118 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QL9	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B9_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.151 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLS	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D11_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.007 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QM7	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E2_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.037 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKM	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A5_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.487 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QL1	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B3_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.137 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLK	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C7_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.993 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLZ	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D6_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (1.996 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKI	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A2_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-20 Method: X-RAY DIFFRACTION (2.304 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKT	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A9_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.896 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLE	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C2_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.954 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLR	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D10_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.972 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QM3	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E1_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.982 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMH	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F11_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.079 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMY	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G4_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2.217 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKK	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A4_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (2.075 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QKZ	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure B12_2) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.381 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLD	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C12_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2.125 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLT	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D12_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-10-30 Method: X-RAY DIFFRACTION (2.402 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QM8	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E3_1) Descriptor: Thiol:disulfide interchange protein Authors: Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. Deposit date: 2019-01-27 Release date: 2020-02-05 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.959 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020

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