6YM0
| Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | 分子名称: | Spike glycoprotein, heavy chain, light chain | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | 登録日 | 2020-04-07 | 公開日 | 2020-04-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (4.36 Å) | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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6YLA
| Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | 登録日 | 2020-04-06 | 公開日 | 2020-04-15 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.42 Å) | 主引用文献 | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike. Cell Host Microbe, 28, 2020
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6ZFO
| Association of two complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | 著者 | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | 登録日 | 2020-06-17 | 公開日 | 2020-07-08 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | 主引用文献 | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient. Nat.Struct.Mol.Biol., 27, 2020
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6YSK
| 1-phenylpyrroles and 1-enylpyrrolidines as inhibitors of Notum | 分子名称: | (3~{S})-1-[4-chloranyl-3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y, Fish, P. | 登録日 | 2020-04-22 | 公開日 | 2020-09-16 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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6ZDH
| SARS-CoV-2 Spike glycoprotein in complex with a neutralizing antibody EY6A Fab | 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, EY6A heavy chain, ... | 著者 | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | 登録日 | 2020-06-14 | 公開日 | 2020-07-01 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient. Nat.Struct.Mol.Biol., 27, 2020
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6ZH9
| Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2) | 分子名称: | CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ... | 著者 | Naismith, J.H, Mikolajek, H, Le Bas, A. | 登録日 | 2020-06-21 | 公開日 | 2020-09-02 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.31 Å) | 主引用文献 | Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2. Nat.Struct.Mol.Biol., 27, 2020
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6ZDG
| Association of three complexes of largely structurally disordered Spike ectodomain with bound EY6A Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | 著者 | Duyvesteyn, H.M.E, Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | 登録日 | 2020-06-14 | 公開日 | 2020-07-29 | 最終更新日 | 2021-12-22 | 実験手法 | ELECTRON MICROSCOPY (4.7 Å) | 主引用文献 | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient. Nat.Struct.Mol.Biol., 27, 2020
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6ZER
| Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with EY6A Fab | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, EY6A heavy chain, EY6A light chain, ... | 著者 | Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | 登録日 | 2020-06-16 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | 主引用文献 | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient. Nat.Struct.Mol.Biol., 27, 2020
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6ZCZ
| Crystal structure of receptor binding domain of SARS-CoV-2 Spike glycoprotein in ternary complex with EY6A Fab and a nanobody. | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EY6A heavy chain, ... | 著者 | Zhou, D, Zhao, Y, Fry, E.E, Ren, J, Stuart, D.I. | 登録日 | 2020-06-12 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Structural basis for the neutralization of SARS-CoV-2 by an antibody from a convalescent patient. Nat.Struct.Mol.Biol., 27, 2020
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6ZVL
| ARUK3000263 complex with Notum | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one, ... | 著者 | Zhao, Y, Ruza, R. | 登録日 | 2020-07-24 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | 5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit. J.Med.Chem., 63, 2020
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6ZUV
| Notum fragment 286 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-07-23 | 公開日 | 2020-11-11 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | 5-Phenyl-1,3,4-oxadiazol-2(3 H )-ones Are Potent Inhibitors of Notum Carboxylesterase Activity Identified by the Optimization of a Crystallographic Fragment Screening Hit. J.Med.Chem., 63, 2020
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7B4X
| Notum complex with ARUK3002697 | 分子名称: | 1,2-ETHANEDIOL, 6-(4-methylphenyl)sulfanyl-2~{H}-[1,2,4]triazolo[4,3-b]pyridazin-3-one, DIMETHYL SULFOXIDE, ... | 著者 | Jones, E.Y, Fish, P. | 登録日 | 2020-12-02 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B86
| Notum-Fragment067 | 分子名称: | 1,2-ETHANEDIOL, 2-[4-(1~{H}-pyrazol-3-yl)phenoxy]pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B87
| Notum-Fragment074 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B89
| Notum-Fragment077 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8C
| Notum-Fragment 147 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B84
| Notum-Fragment065 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8L
| Notum-Fragment 174 | 分子名称: | 1,2-ETHANEDIOL, 2,4-bis(fluoranyl)-6-(1~{H}-pyrazol-3-yl)phenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-13 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B98
| Notum Fragment 282 | 分子名称: | (3-phenyl-1,2-oxazol-5-yl)methylazanium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-12-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8D
| Notum-Fragment 151 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-amino-N-(pyridin-2-yl)benzenesulfonamide, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-12 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7BAC
| Notum Fragment 646 | 分子名称: | 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-12-15 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B8M
| Notum-Fragment 193 | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol, ... | 著者 | Zhao, Y, Jonees, E.Y. | 登録日 | 2020-12-13 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7B9U
| Notum Fragment 609 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-12-14 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7BC9
| Notum Fragment 690 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-12-18 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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7BCD
| Notum Fragment 714 | 分子名称: | 2-(morpholin-4-ium-4-ylmethyl)naphthalen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | 著者 | Zhao, Y, Jones, E.Y. | 登録日 | 2020-12-19 | 公開日 | 2022-01-12 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Structural Analysis and Development of Notum Fragment Screening Hits. Acs Chem Neurosci, 13, 2022
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