7FRO
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z744754722 | 分子名称: | 2-(thiophen-2-yl)-1H-imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQU
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000470b | 分子名称: | (3-chlorophenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQO
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000523a | 分子名称: | (1R,4R,5R,6S)-2-(methanesulfonyl)-4,6-dimethoxy-2-azabicyclo[3.3.1]nonane, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRQ
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000217b | 分子名称: | 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRF
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000089a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, methyl 3-(methylsulfonylamino)benzoate | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQN
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOOA000497a | 分子名称: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQW
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOCR000171b | 分子名称: | 2-(thiophen-2-yl)-1H-imidazole, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRT
| PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster 1 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-26 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRP
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with XST00000245b | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQY
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000278a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FQM
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000619a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-({[(thiophen-2-yl)methyl]amino}methyl)phenol, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-19 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRG
| PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with Z31222641 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N},~{N},5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-24 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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7FRE
| PanDDA analysis group deposition -- Crystal structure of PTP1B after initial refinement with no ligand modeled | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Mehlman, T, Biel, J, Azeem, S.M, Nelson, E.R, Hossain, S, Dunnett, L.E, Paterson, N.G, Douangamath, A, Talon, R, Axford, D, Orins, H, von Delft, F, Keedy, D.A. | 登録日 | 2022-10-20 | 公開日 | 2022-11-23 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1B. Elife, 12, 2023
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5QPM
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000500a | 分子名称: | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQB
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000676a | 分子名称: | 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPG
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000291a | 分子名称: | 3-(azepan-1-ylmethyl)-1~{H}-indole, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPV
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000416a | 分子名称: | (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPD
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000293a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPX
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000534a | 分子名称: | ACETATE ION, Farnesyl diphosphate synthase, SULFATE ION, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 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 - FPPS screened against the DSI Fragment Library To Be Published
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5QPN
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000576a | 分子名称: | 3-[(4-methylpiperidin-1-yl)methyl]-1H-indole, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ0
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with XST00000046b | 分子名称: | 2-morpholin-4-ylaniline, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QQ6
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000530a | 分子名称: | (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, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | PanDDA analysis group deposition - FPPS screened against the DSI Fragment Library To Be Published
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5QPP
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000512a | 分子名称: | 1-[2-(trifluoromethyloxy)phenyl]thiourea, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-04-04 | 公開日 | 2020-04-29 | 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 - FPPS screened against the DSI Fragment Library To Be Published
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5QQ2
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOPL000693a | 分子名称: | (2R)-1-{[(5-methylthiophen-2-yl)methyl]amino}propan-2-ol, ACETATE ION, Farnesyl diphosphate synthase, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 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 - FPPS screened against the DSI Fragment Library To Be Published
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5QQ9
| PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with FMOOA000567a | 分子名称: | 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, ... | 著者 | Petrick, J.K, Nelson, E.R, Muenzker, L, Krojer, T, Douangamath, A, Brandao-Neto, J, von Delft, F, Dekker, C, Jahnke, W. | 登録日 | 2019-03-12 | 公開日 | 2020-04-29 | 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 - FPPS screened against the DSI Fragment Library To Be Published
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