8VFE
 
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a T | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VF9
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal dA base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFB
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal dA base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*CP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.64 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFC
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal T base-paired with FapydG | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*(FAP)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFG
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dC | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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6VZ8
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8EVH
 | | CX3CR1 nucleosome and wild type PU.1 complex | | 分子名称: | DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... | | 著者 | Lian, T, Guan, R, Bai, Y. | | 登録日 | 2022-10-20 | | 公開日 | 2023-11-01 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha.
Nat.Struct.Mol.Biol., 31, 2024
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8VFD
 | | Ternary DNA Polymerase Beta bound to DNA containing template FapydG incoming TTP analog | | 分子名称: | 1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, DNA (5'-D(*CP*CP*GP*AP*CP*(FAP)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-08 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8VFF
 | | Binary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | | 分子名称: | DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(FAP))-3'), DNA (5'-D(P*GP*TP*CP*GP*G)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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3VZ8
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8VFI
 | | Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA | | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | 著者 | Oden, P.N, Ryan, B.J, Freudenthal, B.D. | | 登録日 | 2023-12-21 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
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8ETN
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6SFK
 | | Crystal structure of p38 alpha in complex with compound 81 (MCP42) | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 14, ~{N}-[5-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]-2-methyl-phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide | | 著者 | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-08-01 | | 公開日 | 2019-09-11 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fast Iterative Synthetic Approach toward Identification of Novel Highly Selective p38 MAP Kinase Inhibitors.
J.Med.Chem., 62, 2019
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6W78
 | | crystal structure of a plant ice-binding protein | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antifreeze polypeptide | | 著者 | Wang, Y.N, Zhang, H.Q. | | 登録日 | 2020-03-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.311 Å) | | 主引用文献 | Carrot 'antifreeze' protein has an irregular ice-binding site that confers weak freezing point depression but strong inhibition of ice recrystallization.
Biochem.J., 477, 2020
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6W7D
 | | K2P2.1 (TREK-1), 10 mM K+ | | 分子名称: | CADMIUM ION, DODECANE, HEXADECANE, ... | | 著者 | Lolicato, M, Minor, D.L. | | 登録日 | 2020-03-19 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
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6W8L
 | | Crystal structure of JAK1 kinase with compound 10 | | 分子名称: | N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide, Tyrosine-protein kinase JAK1 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-03-20 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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6VNV
 | | Crystal structure of TYK2 kinase with compound 14 | | 分子名称: | (1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Vajdos, F.F. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-08 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Design and optimization of a series of 4-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-2-amines: Dual inhibitors of TYK2 and JAK1.
Bioorg.Med.Chem., 28, 2020
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8VEJ
 | | De novo designed cholic acid binder: CHD_buttress | | 分子名称: | CHD_buttress, CHOLIC ACID | | 著者 | Bera, A.K, Tran, L, Kang, A, Baker, D. | | 登録日 | 2023-12-19 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-07-31 | | 実験手法 | X-RAY DIFFRACTION (3.59 Å) | | 主引用文献 | Binding and sensing diverse small molecules using shape-complementary pseudocycles.
Science, 385, 2024
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6VSW
 | | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of RORgt | | 分子名称: | 5-(2,3-dichloro-4-{[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl}phenyl)-4-(4-fluoropiperidine-1-carbonyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide, RAR-related orphan receptor C | | 著者 | Spurlino, J, Milligan, C. | | 登録日 | 2020-02-12 | | 公開日 | 2020-05-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.202 Å) | | 主引用文献 | Optimization and biological evaluation of thiazole-bis-amide inverse agonists of ROR gamma t.
Bioorg.Med.Chem.Lett., 30, 2020
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6VKC
 | | Crystal Structure of Inhibitor JNJ-36811054 in Complex with Prefusion RSV F Glycoprotein | | 分子名称: | 3-{[5-chloro-1-(4,4,4-trifluorobutyl)-1H-imidazo[4,5-b]pyridin-2-yl]methyl}-1-cyclopropyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, D(-)-TARTARIC ACID, ... | | 著者 | McLellan, J.S. | | 登録日 | 2020-01-20 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
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8VQ2
 | | HSV1 polymerase ternary complex with dsDNA and compound 44 | | 分子名称: | 2-(4-bromophenyl)-N-(3-methoxy-4-{[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl}phenyl)acetamide, DNA (5'-D(P*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*TP*AP*C)-3'), DNA (5'-D(P*TP*GP*GP*TP*AP*GP*GP*GP*GP*AP*AP*GP*GP*AP*T)-3'), ... | | 著者 | Hayes, R.P, Heo, M.R, Plotkin, M. | | 登録日 | 2024-01-17 | | 公開日 | 2024-08-28 | | 実験手法 | X-RAY DIFFRACTION (3.829 Å) | | 主引用文献 | Discovery of Broad-Spectrum Herpes Antiviral Oxazolidinone Amide Derivatives and Their Structure-Activity Relationships.
Acs Med.Chem.Lett., 15, 2024
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6W82
 | | K2P2.1 (TREK-1), 50 mM K+ | | 分子名称: | CADMIUM ION, DECANE, DODECANE, ... | | 著者 | Lolicato, M, Minor, D.L. | | 登録日 | 2020-03-20 | | 公開日 | 2021-01-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions.
Sci Adv, 6, 2020
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6W86
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6WBW
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | | 著者 | Klein, D.J, Yu, W. | | 登録日 | 2020-03-27 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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6VKD
 | | Crystal Structure of Inhibitor JNJ-36689282 in Complex with Prefusion RSV F Glycoprotein | | 分子名称: | 1-cyclopropyl-3-({1-[3-(methylsulfonyl)propyl]-1H-pyrrolo[3,2-c]pyridin-2-yl}methyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one, CHLORIDE ION, Prefusion RSV F (DS-Cav1), ... | | 著者 | McLellan, J.S. | | 登録日 | 2020-01-20 | | 公開日 | 2020-05-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Discovery of 3-({5-Chloro-1-[3-(methylsulfonyl)propyl]-1H-indol-2-yl}methyl)-1-(2,2,2-trifluoroethyl)-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (JNJ-53718678), a Potent and Orally Bioavailable Fusion Inhibitor of Respiratory Syncytial Virus.
J.Med.Chem., 63, 2020
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