5SDI
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z44592329 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-phenyl-N'-pyridin-3-ylurea | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.898 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDP
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2277255954 | 分子名称: | 5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.195 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDG
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z136583524 | 分子名称: | 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDQ
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434887 | 分子名称: | 2-[(morpholin-4-yl)methyl]phenol, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDC
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434912 | 分子名称: | 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.928 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDF
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434834 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.877 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDL
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z321318226 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDN
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z437584380 | 分子名称: | (4-chlorophenyl)(thiomorpholin-4-yl)methanone, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.023 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDR
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1273312153 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-methyl-1H-indole-7-carboxamide | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.077 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDD
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z2856434879 | 分子名称: | 2-[(4-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline, Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.839 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDM
| PanDDA analysis group deposition -- Crystal Structure of Porphyromonas gingivalis in complex with Z1328078283 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION, N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (2.039 Å) | 主引用文献 | PanDDA analysis group deposition To Be Published
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5SDS
| PanDDA analysis group deposition of ground-state model of Porphyromonas gingivalis DPP11 | 分子名称: | Asp/Glu-specific dipeptidyl-peptidase, CHLORIDE ION | 著者 | Tham, C.T, Coker, J.A, Krojer, T, Foster, W.R, Koekemoer, L, Douangamath, A, Talon, R, Fearon, D, von Delft, F, Yue, W.W, Bountra, C, Bezerra, G.A. | 登録日 | 2022-01-20 | 公開日 | 2022-02-09 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | PanDDA analysis group deposition of ground-state model To Be Published
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5S9E
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | 分子名称: | 4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5SA6
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z2856434783 | 分子名称: | N-benzyl-1-(4-fluorophenyl)methanamine, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2021-05-19 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.517 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5S9C
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | 分子名称: | N-(cyclopropylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S99
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | 分子名称: | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5SAB
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z31504642 | 分子名称: | 2-methoxy-N-phenylacetamide, CITRIC ACID, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2021-05-19 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.486 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5S9B
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex withstarting material | 分子名称: | 3-methoxybenzoic acid, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.153 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5SAE
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with Z3219959731 | 分子名称: | CITRIC ACID, Uridylate-specific endoribonuclease, pyridazin-3(2H)-one | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2021-05-19 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5S9A
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | 分子名称: | 4-(5-chlorofuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5SAH
| PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with EN300-100112 | 分子名称: | 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one, Uridylate-specific endoribonuclease | 著者 | Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G. | 登録日 | 2021-05-19 | 公開日 | 2021-06-09 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease. Nucleic Acids Res., 2023
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5S9G
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | 分子名称: | 1,3-benzothiazole-6-carboxylic acid, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.091 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S9J
| PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material | 分子名称: | 2-azanyl-3-methyl-benzoic acid, PH-interacting protein | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | 登録日 | 2021-01-22 | 公開日 | 2021-02-17 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures To Be Published
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5S7M
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000275d | 分子名称: | 1,2-ETHANEDIOL, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, Activin receptor type-1, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.32 Å) | 主引用文献 | XChem group deposition To Be Published
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5S7N
| XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a | 分子名称: | 1,2-ETHANEDIOL, 1H-imidazol-2-amine, 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine, ... | 著者 | Williams, E.P, Adamson, R.J, Smil, D, Krojer, T, Burgess-Brown, N, von Delft, F, Bountra, C, Bullock, A.N. | 登録日 | 2020-12-11 | 公開日 | 2021-06-23 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | XChem group deposition To Be Published
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