7YQF
 
 | | Crystal structure of PDE4D complexed with glycyrrhisoflavone | | 分子名称: | 1,2-ETHANEDIOL, 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one, MAGNESIUM ION, ... | | 著者 | Liu, J.Y, Li, M.J, Xu, Y.C. | | 登録日 | 2022-08-06 | | 公開日 | 2023-07-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Bioactive compounds from Huashi Baidu decoction possess both antiviral and anti-inflammatory effects against COVID-19.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7YUF
 | | apo human SPNS2 | | 分子名称: | NbFab H-chain, NbFab L-chain, Sphingosine-1-phosphate transporter SPNS2, ... | | 著者 | He, Y, Duan, Y. | | 登録日 | 2022-08-17 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
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7YUD
 | | FTY720p-bound human SPNS2 | | 分子名称: | (2~{S})-2-azanyl-4-(4-octylphenyl)-2-[[oxidanyl-bis(oxidanylidene)-$l^{6}-phosphanyl]oxymethyl]butan-1-ol, NbFab L-chain, NbFab-H-chain, ... | | 著者 | He, Y, Duan, Y. | | 登録日 | 2022-08-17 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-02-21 | | 実験手法 | ELECTRON MICROSCOPY (2.98 Å) | | 主引用文献 | Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024
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4W6E
 | | Human Tankyrase 1 with small molecule inhibitor | | 分子名称: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | | 著者 | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | | 登録日 | 2014-08-20 | | 公開日 | 2015-05-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology.
Acs Med.Chem.Lett., 6, 2015
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8XKF
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8XHU
 | | Crystal structure of Helicobacter pylori IspDF | | 分子名称: | 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ... | | 著者 | Chen, X, Wu, D. | | 登録日 | 2023-12-18 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
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8XKG
 | | Crystal structure of Acinetobacter baumannii IspD | | 分子名称: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, GLYCEROL | | 著者 | Chen, X, Wu, D. | | 登録日 | 2023-12-23 | | 公開日 | 2024-04-10 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
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6XE7
 | | Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate | | 分子名称: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | 著者 | Pagare, P.P, Safo, M.K, Musayev, F.N. | | 登録日 | 2020-06-12 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents.
J.Med.Chem., 63, 2020
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7DHJ
 | | The co-crystal structure of SARS-CoV-2 main protease with the peptidomimetic inhibitor (S)-2-cinnamamido-N-((S)-1-oxo-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)pent-4-ynamide | | 分子名称: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide, 3C-like proteinase | | 著者 | Shang, L.Q, Wang, H, Deng, W.L, Xing, S, Wang, Y.X. | | 登録日 | 2020-11-15 | | 公開日 | 2021-11-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.962 Å) | | 主引用文献 | The structure-based design of peptidomimetic inhibitors against SARS-CoV-2 3C like protease as Potent anti-viral drug candidate.
Eur.J.Med.Chem., 238, 2022
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7DGB
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7DGH
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7DGF
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7DGG
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7DGI
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8ZC5
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.91 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZBZ
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.71 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZBY
 | | SARS-CoV-2 Omicron BA.1 spike trimer (x2-4P) in complex with 3 D1F6 Fabs (0 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.67 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC1
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | 分子名称: | Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1 | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC4
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.95 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC0
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (4.17 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8ZC2
 | | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ... | | 著者 | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | 登録日 | 2024-04-28 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (7.82 Å) | | 主引用文献 | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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8XJ8
 | | The Cryo-EM structure of MPXV E5 C-terminal in complex with DNA | | 分子名称: | DNA (70-MER), MAGNESIUM ION, Monkeypox virus E5, ... | | 著者 | Zhang, W, Liu, Y, Gao, H, Gan, J. | | 登録日 | 2023-12-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.67 Å) | | 主引用文献 | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
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8USS
 | | IL17A complexed to Compound 7 | | 分子名称: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | | 著者 | Argiriadi, M.A, Ramos, A.L. | | 登録日 | 2023-10-29 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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8USR
 | | IL17A homodimer complexed to Compound 23 | | 分子名称: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | 著者 | Argiriadi, M.A, Ramos, A.L. | | 登録日 | 2023-10-29 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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8XJ7
 | | The Cryo-EM structure of MPXV E5 in complex with DNA | | 分子名称: | DNA (70-MER), MAGNESIUM ION, Monkeypox virus E5, ... | | 著者 | Zhang, W, Liu, Y, Gao, H, Gan, J. | | 登録日 | 2023-12-20 | | 公開日 | 2024-05-01 | | 最終更新日 | 2024-07-03 | | 実験手法 | ELECTRON MICROSCOPY (2.74 Å) | | 主引用文献 | Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
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