PDB: 729 件ウェブページステータス検索Chemie searchBIRD

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7GSJ	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000543a 分子名称: (phenylmethyl) 4-oxidanylpiperidine-1-carboxylate, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSH	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000530a 分子名称: 2-(4-methylphenyl)-N-{[(2S)-oxolan-2-yl]methyl}acetamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSQ	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000149a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-[(4-chlorophenyl)methyl]methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSU	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000382a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(morpholin-4-yl)methyl]phenol, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTC	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00001145b 分子名称: 1-phenylmethoxyurea, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.92 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTJ	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000280c 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [2-(morpholin-4-yl)phenyl]methanol 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.83 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTQ	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000311a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GS9	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000631a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTU	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOMB000297a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(2-acetylphenyl)sulfanyl]benzoic acid, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSF	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000421a 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-ethyl-~{N}-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSK	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000279a 分子名称: 1-(diphenylmethyl)azetidin-3-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GSZ	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMSOA000686b 分子名称: 1-[4-methyl-2-(pyridin-4-yl)-1,3-thiazol-5-yl]methanamine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GT2	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000752b 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [(4-chlorophenyl)sulfanyl]acetic acid 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTF	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000754b 分子名称: 1,2-benzoxazol-3-ol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTP	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000688a 分子名称: (4-acetylphenoxy)acetic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (2.47 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTV	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with XST00000765c 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9~{H}-xanthene-9-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
7GTR	PanDDA Analysis group deposition -- Crystal structure of PTP1B in complex with FMOPL000587a 分子名称: 2-(benzyloxy)benzohydrazide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 著者 Mehlman, T, Ginn, H.M, Keedy, D.A. 登録日 2024-01-03 公開日 2024-01-24 最終更新日 2024-04-24 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 An expanded view of ligandability in the allosteric enzyme PTP1B from computational reanalysis of large-scale crystallographic data. Biorxiv, 2024
8XOY	The Crystal Structure of PTP1B from Biortus. 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... 著者 Wang, F, Cheng, W, Lv, Z, Meng, Q, Li, J. 登録日 2024-01-02 公開日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 The Crystal Structure of PTP1B from Biortus. To Be Published
8WFY	The Crystal Structure of SHP2 from Biortus. 分子名称: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 著者 Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. 登録日 2023-09-20 公開日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The Crystal Structure of SHP2 from Biortus. To Be Published
8U7X	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 24 分子名称: (3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine, Tyrosine-protein phosphatase non-receptor type 11 著者 Mou, T.C. 登録日 2023-09-15 公開日 2024-01-03 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors. Acs Med.Chem.Lett., 14, 2023
8U7W	Crystal structure of non-receptor protein tyrosine phosphatase SHP2 in complex with inhibitor compound 7 分子名称: 1-{6-[(2,3-dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 著者 Mou, T.C. 登録日 2023-09-15 公開日 2024-01-03 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of 5-Azaquinoxaline Derivatives as Potent and Orally Bioavailable Allosteric SHP2 Inhibitors. Acs Med.Chem.Lett., 14, 2023
8U1E	Apo protein tyrosine phosphatase 1B (PTP1B) at high resolution (1.43 A) in space group P43212 with two distinctly ordered chains 分子名称: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 著者 Sharma, S, Mehlman, S.T, Keedy, D.A. 登録日 2023-08-31 公開日 2023-09-27 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 High-resolution double vision of the allosteric phosphatase PTP1B. Acta Crystallogr.,Sect.F, 80, 2024
8T8Q	Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors 分子名称: 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 著者 Tang, Y, Nguyen, V, Wilbur, J.D. 登録日 2023-06-23 公開日 2023-10-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
8T7Q	Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors 分子名称: 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 著者 Tang, Y, Nguyen, V, Wilbur, J.D. 登録日 2023-06-21 公開日 2023-10-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023
8T6G	Identification of GDC-1971 (RLY-1971), a SHP2 inhibitor designed for the treatment of solid tumors 分子名称: (1S)-1-{6-[(1S)-1-amino-1,3-dihydrospiro[indene-2,4'-piperidin]-1'-yl]-3-(3,4-dihydro-1,5-naphthyridin-1(2H)-yl)-1H-pyrazolo[3,4-b]pyrazin-5-yl}ethan-1-ol, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 11 著者 Tang, Y, Nugyen, V, Wilbur, J.D. 登録日 2023-06-15 公開日 2023-10-11 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Identification of GDC-1971 (RLY-1971), a SHP2 Inhibitor Designed for the Treatment of Solid Tumors. J.Med.Chem., 66, 2023

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