8DIB
 
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8DII
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8DIH
 | | Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors | | 分子名称: | (1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione, 3C-like proteinase nsp5 | | 著者 | Singh, I, Shoichet, B.K. | | 登録日 | 2022-06-29 | | 公開日 | 2023-06-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.12 Å) | | 主引用文献 | Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
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8DIC
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8DIG
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8DIF
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8DIE
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8ILD
 | | The crystal structure of native dGTP:DNApre-I:Pol X substrate ternary complex | | 分子名称: | DNA (5'-D(*CP*AP*GP*GP*AP*TP*CP*CP*T)-3'), GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ... | | 著者 | Qin, T, Chen, Y.Q, Gan, J.H, Huang, Z. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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8ILH
 | | The crystal structure of dG(Se-Sp)-DNA:Pol X product binary complex | | 分子名称: | 2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE, DNA (5'-D(*CP*GP*GP*AP*TP*CP*C)-3'), MAGNESIUM ION, ... | | 著者 | Qin, T, Gan, J.H, Huang, Z. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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8ILI
 | | The crystal structure of dG(Se-Rp)-DNA:Pol X product binary complex | | 分子名称: | DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*(7S8))-3'), MAGNESIUM ION, Repair DNA polymerase X, ... | | 著者 | Qin, T, Gan, J.H, Huang, Z. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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8ILE
 | | The crystal structure of dGTPalphaSe-Rp:DNApre-II:Pol X substrate ternary complex | | 分子名称: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | | 著者 | Qin, T, Gan, J.H, Huang, Z. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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8ILG
 | | The crystal structure of dG-DNA:Pol X product binary complex | | 分子名称: | DNA (5'-D(*CP*GP*GP*AP*TP*CP*CP*G)-3'), FORMIC ACID, MANGANESE (II) ION, ... | | 著者 | Qin, T, Gan, J.H, Huang, Z. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.805 Å) | | 主引用文献 | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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8ILF
 | | The crystal structure of dGTPalphaSe-Sp:DNApre-II:Pol X substrate ternary complex | | 分子名称: | DNA (5'-D(*CP*TP*GP*GP*AP*TP*CP*CP*A)-3'), MANGANESE (II) ION, Repair DNA polymerase X, ... | | 著者 | Qin, T, Zhao, Q.W, Gan, J.H, Huang, Z. | | 登録日 | 2023-03-03 | | 公開日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Int J Mol Sci, 24, 2023
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5J9S
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5TRL
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5TRM
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6E86
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7M95
 | | Bovine sigma-2 receptor bound to Z1241145220 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine, CHOLESTEROL, ... | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7MFI
 | | Bovine sigma-2 receptor bound to cholesterol | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ... | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-04-09 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7M94
 | | Bovine sigma-2 receptor bound to Roluperidone | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Roluperidone, Sigma intracellular receptor 2 | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7M93
 | | Bovine sigma-2 receptor bound to PB28 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, PB28, Sigma intracellular receptor 2 | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.94 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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7M96
 | | Bovine sigma-2 receptor bound to Z4857158944 | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-({[(1S)-1-hydroxy-2-methyl-1-phenylpropan-2-yl]amino}methyl)-1-methyl-3,4-dihydroquinolin-2(1H)-one, ... | | 著者 | Alon, A, Kruse, A.C. | | 登録日 | 2021-03-30 | | 公開日 | 2021-12-15 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Structures of the sigma 2 receptor enable docking for bioactive ligand discovery.
Nature, 600, 2021
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6J2A
 | | The structure of HLA-A*3003/NP44 | | 分子名称: | Beta-2-microglobulin, HLA-A*3003, NP44 | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-31 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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6J1W
 | | The structure of HLA-A*3001/RT313 | | 分子名称: | ALA-ILE-PHE-GLN-SER-SER-MET-THR-LYS, Beta-2-microglobulin, HLA-A*3001 | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, G.F, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-29 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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6J29
 | | The structure of HLA-A*3003/MTB | | 分子名称: | Beta-2-microglobulin, HLA-A*3003, MTB | | 著者 | Zhu, S.Y, Liu, K.F, Chai, Y, Ding, C.M, Lv, J.X, Gao, F.G, Lou, Y.L, Liu, W.J. | | 登録日 | 2018-12-31 | | 公開日 | 2019-09-25 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Divergent Peptide Presentations of HLA-A*30 Alleles Revealed by Structures With Pathogen Peptides.
Front Immunol, 10, 2019
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