7M3Z
| Structure of TIM-3 in complex with N-(4-(8-chloro-2-mehtyl-5-oxo-5,6-dihydro-[1,2,4]triazolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)methanesulfonamdide (compound 35) | 分子名称: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}methanesulfonamide | 著者 | Rietz, T.A. | 登録日 | 2021-03-19 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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7M3Y
| Structure of TIM-3 in complex with 8-chloro-2-methyl-9-(3-mehtylpyridin-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one (compound 22) | 分子名称: | (4R,10aP)-8-chloro-2-methyl-9-(3-methylpyridin-4-yl)[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one, CALCIUM ION, Hepatitis A virus cellular receptor 2 | 著者 | Rietz, T.A. | 登録日 | 2021-03-19 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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7M41
| Structure of TIM-3 in complex with N-(4-(8-chloro-2-methyl-5-oxo-5,6-dihydro-[1,2,4]traizolo[1,5-c]quinazolin-9-yl)-3-methylphenyl)-1H-imidazole-2-sulfonamide (compound 38) | 分子名称: | CALCIUM ION, Hepatitis A virus cellular receptor 2, N-{4-[(4S,10aP)-8-chloro-2-methyl-5-oxo-5,6-dihydro[1,2,4]triazolo[1,5-c]quinazolin-9-yl]-3-methylphenyl}-1H-imidazole-2-sulfonamide | 著者 | Rietz, T.A. | 登録日 | 2021-03-19 | 公開日 | 2021-10-13 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Fragment-Based Discovery of Small Molecules Bound to T-Cell Immunoglobulin and Mucin Domain-Containing Molecule 3 (TIM-3). J.Med.Chem., 64, 2021
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8E9F
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6UFX
| WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13) | 分子名称: | N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide, WD repeat-containing protein 5 | 著者 | Rietz, T.A, Fesik, S.W, Zhao, B. | 登録日 | 2019-09-25 | 公開日 | 2020-01-01 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.015 Å) | 主引用文献 | Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core. J.Med.Chem., 63, 2020
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7U9Y
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7UAS
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6UCS
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6NM8
| IgV-V76T BMS compound 105 | 分子名称: | N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine, Programmed cell death 1 ligand 1 | 著者 | Perry, E, Zhao, B, Fesik, S. | 登録日 | 2019-01-10 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.792 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6NOS
| PD-L1 IgV domain V76T with fragment | 分子名称: | 1-[5-(3,5-dichlorophenyl)furan-2-yl]-N-methylmethanamine, Programmed cell death 1 ligand 1 | 著者 | Zhao, B, Perry, E. | 登録日 | 2019-01-16 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.701 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6NP9
| PD-L1 IgV domain V76T with fragment | 分子名称: | Programmed cell death 1 ligand 1, SULFATE ION | 著者 | Zhao, B, Perry, E. | 登録日 | 2019-01-17 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6NNV
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6NOJ
| PD-L1 IgV domain V76T with fragment | 分子名称: | Programmed cell death 1 ligand 1, methyl 3-amino-4-(2-fluorophenyl)-1H-pyrrole-2-carboxylate | 著者 | Zhao, B, Perry, E. | 登録日 | 2019-01-16 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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6NM7
| PD-L1 IgV domain bound to fragment | 分子名称: | 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, Programmed cell death 1 ligand 1 | 著者 | Perry, E, Zhao, B. | 登録日 | 2019-01-10 | 公開日 | 2019-02-20 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.426 Å) | 主引用文献 | Fragment-based screening of programmed death ligand 1 (PD-L1). Bioorg. Med. Chem. Lett., 29, 2019
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