4JPG
 
 | | 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as Novel PKM2 Activators | | 分子名称: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-(1H-benzimidazol-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one, Pyruvate kinase isozymes M1/M2 | | 著者 | Greasley, S.E, Hickey, M, Phonephaly, H, Cronin, C. | | 登録日 | 2013-03-19 | | 公開日 | 2013-05-22 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.
Bioorg.Med.Chem.Lett., 23, 2013
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8F60
 | | anti-BTLA monoclonal antibody r23C8 in complex with BTLA | | 分子名称: | ACETATE ION, B- and T-lymphocyte attenuator, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | 登録日 | 2022-11-15 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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8F6O
 | | anti-BTLA monoclonal antibody h22B3 in complex with BTLA | | 分子名称: | B- and T-lymphocyte attenuator, h22B3 Fab heavy chain, h22B3 Fab light chain | | 著者 | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | 登録日 | 2022-11-16 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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8F6L
 | | anti-BTLA monoclonal antibody h25F7 in complex with BTLA | | 分子名称: | B- and T-lymphocyte attenuator, h25F7 Fab heavy chain, h25F7 Fab light chain | | 著者 | Hendle, J, Atwell, S, Lieu, R, Hickey, M, Weichert, K. | | 登録日 | 2022-11-16 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Epitope topography of agonist antibodies to the checkpoint inhibitory receptor BTLA.
Structure, 31, 2023
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3RWP
 | | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | | 著者 | Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C. | | 登録日 | 2011-05-09 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
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9OG3
 | | Crystal structure of WRN in complex with compound 4 | | 分子名称: | (3R,4S)-N-[(2R)-3-cyclohexyl-1-(dimethylamino)-1-oxopropan-2-yl]-1-[(2-fluoro-4-methylphenyl)acetyl]-4-[3-(2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)propanamido]piperidine-3-carboxamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | 著者 | Pemberton, O.A, Tong, Y, Nocek, B, Tang, H.Y.H. | | 登録日 | 2025-04-30 | | 公開日 | 2025-06-18 | | 最終更新日 | 2025-07-02 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Validation, Key Pharmacophores, and X-ray Cocrystal Structures of Novel Biochemically and Cellularly Active WRN Inhibitors Derived from a DNA-Encoded Library Screen.
J.Med.Chem., 68, 2025
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9OG8
 | | Crystal structure of WRN in complex with compound 43 | | 分子名称: | (3R,4S)-N-[(2R)-3-cyclohexyl-1-(methylamino)-1-oxopropan-2-yl]-4-{3-[6-(ethanesulfonamido)-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl]propanamido}-1-[(2-fluoro-4-methylphenyl)acetyl]piperidine-3-carboxamide, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ZINC ION | | 著者 | Pemberton, O.A, Tong, Y, Nocek, B, Tang, H.Y.H. | | 登録日 | 2025-04-30 | | 公開日 | 2025-06-18 | | 最終更新日 | 2025-07-02 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Validation, Key Pharmacophores, and X-ray Cocrystal Structures of Novel Biochemically and Cellularly Active WRN Inhibitors Derived from a DNA-Encoded Library Screen.
J.Med.Chem., 68, 2025
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4L3Q
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2HAI
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3FRZ
 | | Crystal Structure of HCV NS5B RNA polymerase in complex with PF868554 | | 分子名称: | (6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one, BETA-MERCAPTOETHANOL, N-[(benzyloxy)carbonyl]-L-alpha-glutamyl-N-[(1S)-4-oxo-4-phenyl-1-propylbut-2-en-1-yl]-L-phenylalaninamide, ... | | 著者 | Parge, H.E. | | 登録日 | 2009-01-08 | | 公開日 | 2009-03-10 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Discovery of (R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydropyran-2-one (PF-00868554) as a potent and orally available hepatitis C virus polymerase inhibitor.
J.Med.Chem., 52, 2009
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3RWQ
 | | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | | 分子名称: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | | 著者 | Kazmirski, S, Kohls, D. | | 登録日 | 2011-05-09 | | 公開日 | 2011-11-16 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1).
J.Med.Chem., 54, 2011
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4DCH
 | | Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | | 分子名称: | (2R)-3-cyclopentyl-2-[4-(methylsulfonyl)phenyl]-N-(1,3-thiazol-2-yl)propanamide, Glucokinase, IODIDE ION, ... | | 著者 | Greasley, S.E, Hickey, M, Feng, J, Garcia, E. | | 登録日 | 2012-01-17 | | 公開日 | 2012-02-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Insights into Mechanism of Glucokinase Activation: OBSERVATION OF MULTIPLE DISTINCT PROTEIN CONFORMATIONS.
J.Biol.Chem., 287, 2012
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