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4JPG
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BU of 4jpg by Molmil
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
8F60
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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2023-10-25
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
8F6O
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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2023-10-25
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
8F6L
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BU of 8f6l by Molmil
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2023-10-25
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
3RWP
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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2017-11-08
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
4L3Q
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BU of 4l3q by Molmil
Crystal structure of glucokinase-activator complex
分子名称: 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one, Glucokinase, alpha-D-glucopyranose
著者Gajiwala, K.S, Filipski, K.J.
登録日2013-06-06
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.
Bioorg.Med.Chem.Lett., 23, 2013
2HAI
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BU of 2hai by Molmil
Crystal structure of HCV NS5B RNA polymerase in complex with novel class of dihydropyrone-containing inhibitor.
分子名称: (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE, HEPATITIS C VIRUS NS5B RNA POLYMERASE
著者Li, H, Love, R.L.
登録日2006-06-12
公開日2006-09-05
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
3RWQ
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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2011-12-28
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
3FRZ
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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
4DCH
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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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件を2024-04-24に公開中

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