5SRH
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5SRI
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5SRJ
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5SRK
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5SRL
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5SRO
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5SRM
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5SRN
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5SRP
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5SRQ
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5SRS
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![BU of 5srs by Molmil](/molmil-images/mine/5srs) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2614735107 - (R) and (S) isomers | 分子名称: | 3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one, 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one, Non-structural protein 3 | 著者 | Correy, G.J, Fraser, J.S. | 登録日 | 2022-06-09 | 公開日 | 2022-07-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5SRV
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5SRU
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5SRT
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5SSA
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5SSQ
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5QDW
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![BU of 5qdw by Molmil](/molmil-images/mine/5qdw) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000465a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2019-02-06 | 実験手法 | X-RAY DIFFRACTION (2.212 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QED
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![BU of 5qed by Molmil](/molmil-images/mine/5qed) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000538a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.755 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QEV
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![BU of 5qev by Molmil](/molmil-images/mine/5qev) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000603b | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(4-chlorophenyl)-1H-pyrazol-5-amine, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.723 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QFC
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![BU of 5qfc by Molmil](/molmil-images/mine/5qfc) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOMB000140a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(thiophen-2-yl)methyl]benzenesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QFV
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![BU of 5qfv by Molmil](/molmil-images/mine/5qfv) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000491a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(1S,2S,3S,4R)-3-hydroxy-1,2,3,4-tetrahydro-1,4-epoxynaphthalen-2-yl]cyclobutanecarboxamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.641 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QGA
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![BU of 5qga by Molmil](/molmil-images/mine/5qga) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000540a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(4R)-4-hydroxy-1,1-dioxo-3,4-dihydro-1lambda~6~,2-benzothiazin-2(1H)-yl]acetamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.653 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QDI
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![BU of 5qdi by Molmil](/molmil-images/mine/5qdi) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000157a | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(2-phenylethyl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.623 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QDQ
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![BU of 5qdq by Molmil](/molmil-images/mine/5qdq) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_XST00000847b | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N,N-dimethylpyridin-4-amine, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.575 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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5QE7
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![BU of 5qe7 by Molmil](/molmil-images/mine/5qe7) | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000601a | 分子名称: | 1-(3,4-dimethoxyphenyl)methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | 著者 | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | 登録日 | 2018-08-30 | 公開日 | 2018-10-10 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.713 Å) | 主引用文献 | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering. Elife, 7, 2018
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