PDB: 30476 件ウェブページステータス検索Chemie searchBIRD

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5QKK	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A4_2) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.075 Å) 主引用文献 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) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.381 Å) 主引用文献 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) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.125 Å) 主引用文献 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) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.402 Å) 主引用文献 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) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.959 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QMN	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure F5_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.976 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QN2	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure G6_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QNH	Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure Phaux_1) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (2.211 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QNZ	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_25) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.792 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5QOE	Group deposition of apo datasets for PANDDA analysis - Crystal Structure of apo EcDsbA after initial refinement (apo_dataset_7) 分子名称: Thiol:disulfide interchange protein 著者 Ilyichova, O.V, Bentley, M.R, Doak, B.C, Scanlon, M.J. 登録日 2019-01-27 公開日 2020-02-05 最終更新日 2020-07-22 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63, 2020
5Q8F	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 224) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5Q8S	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 238) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.61 Å) 主引用文献 PanDDA analysis group deposition To Be Published
8DKZ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. 登録日 2022-07-06 公開日 2023-04-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
5Q9A	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 256) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 PanDDA analysis group deposition To Be Published
5Q9P	PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 271) 分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION 著者 Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2017-05-25 公開日 2018-08-08 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.48 Å) 主引用文献 PanDDA analysis group deposition To Be Published
8DJJ	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. 登録日 2022-06-30 公開日 2023-04-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.51 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
5QA8	OXA-48 IN COMPLEX WITH COMPOUND 4c 分子名称: 3-(4-hydroxyphenyl)benzoic acid, Beta-lactamase, CHLORIDE ION 著者 Lund, B.A, Leiros, H.K.S. 登録日 2017-07-11 公開日 2018-01-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
5QAK	OXA-48 IN COMPLEX WITH COMPOUND 14 分子名称: 1,2-ETHANEDIOL, 3-[3-(dimethylamino)phenyl]benzoic acid, Beta-lactamase, ... 著者 Lund, B.A, Leiros, H.K.S. 登録日 2017-07-11 公開日 2018-01-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
8DI3	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-06-28 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
5QB1	OXA-48 IN COMPLEX WITH COMPOUND 36 分子名称: 1,2-ETHANEDIOL, 3,5-bis(3-acetamidophenyl)benzoic acid, Beta-lactamase, ... 著者 Lund, B.A, Leiros, H.K.S. 登録日 2017-07-11 公開日 2018-01-10 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A focused fragment library targeting the antibiotic resistance enzyme - Oxacillinase-48: Synthesis, structural evaluation and inhibitor design. Eur J Med Chem, 145, 2018
8DKK	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J. 登録日 2022-07-05 公開日 2023-05-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
5QHI	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000271a 分子名称: 1,2-ETHANEDIOL, IODIDE ION, Protein FAM83B, ... 著者 Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N. 登録日 2018-05-18 公開日 2018-12-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
8DK8	Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates 分子名称: 3C-like proteinase nsp5 著者 Khan, M.B, Lu, J, Young, H.S, Lemieux, M.J. 登録日 2022-07-04 公開日 2023-05-17 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals. Acs Cent.Sci., 9, 2023
5QI0	PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000352a 分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... 著者 Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. 登録日 2018-05-21 公開日 2019-04-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
5QIW	Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102660 分子名称: N-[(E)-(4-methylphenyl)methylidene]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2 著者 Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F. 登録日 2018-08-10 公開日 2019-12-18 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Covalent fragment group deposition To Be Published

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