PDB: 12016 件ウェブページステータス検索Chemie searchBIRD

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5LH8	Trypsin inhibitors for the treatment of pancreatitis - cpd 8 分子名称: (2~{S},4~{S})-1-[4-(aminomethyl)-3-methoxy-phenyl]carbonyl-4-(4-cyclopropyl-1,2,3-triazol-1-yl)-~{N}-[(1~{S},2~{R})-2-phenylcyclohexyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... 著者 Schiering, N, D'Arcy, A, Skaanderup, P, Simic, O, Brandl, T, Woelcke, J. 登録日 2016-07-08 公開日 2016-08-10 最終更新日 2019-10-16 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Trypsin inhibitors for the treatment of pancreatitis. Bioorg.Med.Chem.Lett., 26, 2016
5RLK	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1509882419 分子名称: 1-(propan-2-yl)-1H-imidazole-4-sulfonamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.956 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RM1	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z426041412 分子名称: Helicase, N-[4-(aminomethyl)phenyl]methanesulfonamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.896 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RMK	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1273312153 分子名称: Helicase, N-methyl-1H-indole-7-carboxamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLB	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z216450634 分子名称: Helicase, N-cycloheptyl-N-methylmethanesulfonamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLP	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z166605480 分子名称: (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.562 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RMA	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z321318226 分子名称: Helicase, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLG	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19739650 分子名称: (2S)-2-(4-cyanophenoxy)propanamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLR	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z822382694 分子名称: (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RM4	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1639162606 分子名称: 2-fluoro-N,3-dimethylbenzene-1-sulfonamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.96 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLO	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1454310449 分子名称: Helicase, N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.097 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RMJ	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z68299550 分子名称: 3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RM6	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z396380540 分子名称: Helicase, PHOSPHATE ION, ZINC ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.128 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLC	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z56923284 分子名称: 4-amino-N-phenylbenzene-1-sulfonamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
7SA4	Damaged 70S ribosome with PrfH bound 分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... 著者 Tian, Y, Zeng, F, Raybarman, A, Carruthers, A, Li, Q, Fatma, S, Huang, R.H. 登録日 2021-09-22 公開日 2022-08-03 実験手法 ELECTRON MICROSCOPY (2.55 Å) 主引用文献 Sequential rescue and repair of stalled and damaged ribosome by bacterial PrfH and RtcB. Proc.Natl.Acad.Sci.USA, 119, 2022
5RLH	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2856434778 分子名称: 2-(trifluoromethoxy)benzoic acid, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.379 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RM0	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1492796719 分子名称: Helicase, PHOSPHATE ION, ZINC ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.909 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RML	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z85956652 分子名称: Helicase, N-(3-chloro-2-methylphenyl)glycinamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.43 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RL6	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z198195770 分子名称: Helicase, N-[3-(carbamoylamino)phenyl]acetamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.921 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLY	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z2027049478 分子名称: 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.434 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RMF	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z54226006 分子名称: (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RL9	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z1703168683 分子名称: 1-(3-fluoro-4-methylphenyl)methanesulfonamide, Helicase, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.788 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RLS	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z59181945 分子名称: Helicase, N-hydroxyquinoline-2-carboxamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.278 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5RMD	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z57614330 分子名称: Helicase, N-ethyl-4-[(methylsulfonyl)amino]benzamide, PHOSPHATE ION, ... 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-16 公開日 2020-09-30 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
5ROB	PanDDA analysis group deposition of ground-state model of SARS-CoV-2 helicase 分子名称: Helicase, PHOSPHATE ION, ZINC ION 著者 Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. 登録日 2020-09-22 公開日 2021-03-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 PanDDA analysis group deposition of ground-state model To Be Published

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