PDB: 30476 resultsInfo pagesStatus searchChemie searchBIRD

---

5QLH	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure C4_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: 2020-07-22 Method: X-RAY DIFFRACTION (1.887 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QLX	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure D4_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: 2020-07-22 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
5QNS	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_19) 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: 2020-07-22 Method: X-RAY DIFFRACTION (1.785 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMD	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure E9_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: 2020-07-22 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
5QO6	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_36) 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: 2020-07-22 Method: X-RAY DIFFRACTION (1.794 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMS	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G1_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: 2020-07-22 Method: X-RAY DIFFRACTION (2.047 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QOI	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000213a Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.99 Å) Cite: PanDDA analysis group deposition To Be Published
5QN9	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure H3_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: 2020-07-22 Method: X-RAY DIFFRACTION (1.938 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QP9	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z100435060 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.72 Å) Cite: PanDDA analysis group deposition To Be Published
5QNQ	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_17) 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: 2020-07-22 Method: X-RAY DIFFRACTION (1.669 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QO7	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_37) 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: 2020-07-22 Method: X-RAY DIFFRACTION (1.968 Å) Cite: Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QPN	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000576a Descriptor: 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.45 Å) Cite: PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QQ0	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00000046b Descriptor: 2-morpholin-4-ylaniline, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QOJ	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOCR000171b Descriptor: 1,2-ETHANEDIOL, 2-(thiophen-2-yl)-1H-imidazole, ACETATE ION, ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2.05 Å) Cite: PanDDA analysis group deposition To Be Published
5QQ6	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000530a Descriptor: (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.94 Å) Cite: PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QP3	PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1494850193 Descriptor: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... Authors: Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. Deposit date: 2019-02-22 Release date: 2019-05-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.75 Å) Cite: PanDDA analysis group deposition To Be Published
5QPP	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000512a Descriptor: 1-[2-(trifluoromethyloxy)phenyl]thiourea, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-04-04 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.48 Å) Cite: PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QQR	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1171217421 Descriptor: 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine, 5-aminolevulinate synthase, erythroid-specific, ... Authors: Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. Deposit date: 2019-05-22 Release date: 2019-08-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.46 Å) Cite: PanDDA analysis group deposition To Be Published
5QQ2	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000693a Descriptor: (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.73 Å) Cite: PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QR6	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z44567722 Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... Authors: Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. Deposit date: 2019-05-22 Release date: 2019-08-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.52 Å) Cite: PanDDA analysis group deposition To Be Published
5QQ9	PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000567a Descriptor: 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide, ACETATE ION, Farnesyl diphosphate synthase, ... Authors: Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. Deposit date: 2019-03-12 Release date: 2020-04-29 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.61 Å) Cite: PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
5QRM	PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1899842917 Descriptor: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, CADMIUM ION, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-07-10 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.55 Å) Cite: PanDDA analysis group deposition To Be Published
5QQS	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z275151340 Descriptor: 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ... Authors: Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. Deposit date: 2019-05-22 Release date: 2019-08-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: PanDDA analysis group deposition To Be Published
5QSD	PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z54571979 Descriptor: N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide, T-box transcription factor T Authors: Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. Deposit date: 2019-05-25 Release date: 2019-08-21 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.87 Å) Cite: PanDDA analysis group deposition To Be Published
5QR7	PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z57299529 Descriptor: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ... Authors: Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W. Deposit date: 2019-05-22 Release date: 2019-08-07 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.74 Å) Cite: PanDDA analysis group deposition To Be Published

<257258259260261262263264265266267268269270271272>