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8CYC
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BU of 8cyc by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 2-34
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYB
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BU of 8cyb by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-8
分子名称: 1-deoxy-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYJ
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BU of 8cyj by Molmil
RBD of SARS-CoV-2 Spike protein in complex with pan-sarbecovirus nanobodies 2-10, 2-67, 2-62 and 1-25
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 1-25, pan-sarbecovirus nanobody 2-10, ...
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CYD
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BU of 8cyd by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-45
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 2-45
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CXN
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BU of 8cxn by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-57
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, pan-sarbecovirus nanobody 2-57
著者Huang, W, Taylor, D.
登録日2022-05-22
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CY9
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BU of 8cy9 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 1-23
分子名称: Spike glycoprotein, pan-sarbecovirus nanobody 1-23
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8CY7
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BU of 8cy7 by Molmil
SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34
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, Spike glycoprotein, ...
著者Huang, W, Taylor, D.
登録日2022-05-23
公開日2022-07-06
最終更新日2022-07-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Superimmunity by pan-sarbecovirus nanobodies.
Cell Rep, 39, 2022
8D0Z
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BU of 8d0z by Molmil
S728-1157 IgG in complex with SARS-CoV-2-6P-Mut7 Spike protein (focused refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S728-1157 Fab heavy chain variable region, S728-1157 Fab light chain variable region, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2022-05-26
公開日2023-03-22
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Site of vulnerability on SARS-CoV-2 spike induces broadly protective antibody against antigenically distinct Omicron subvariants.
J.Clin.Invest., 133, 2023
5NFS
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BU of 5nfs by Molmil
Structure of coxsackievirus B3 3C protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
分子名称: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, Genome polyprotein
著者Ma, Q, Zhang, L, Hilgenfeld, R.
登録日2017-03-15
公開日2018-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication
To Be Published
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
分子名称: BA7054 fab, BA7125 fab, Spike glycoprotein
著者Liu, Z, Liu, S.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 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, BA7208 fab, ...
著者Liu, Z, Liu, S, Gao, Y.Z.
登録日2022-03-26
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (2.62 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDL
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BU of 7xdl by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7208 and BA7125 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, BA7125 fab, ...
著者Liu, Z, Liu, S, Yuanzhu, G.
登録日2022-03-27
公開日2023-03-15
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7S6I
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BU of 7s6i by Molmil
SARS-CoV-2-6P-Mut2 S protein
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, Spike glycoprotein
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2021-09-14
公開日2022-05-11
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6J
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BU of 7s6j by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 1)
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, J08 fragment antigen binding heavy chain variable domain, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2021-09-14
公開日2022-05-11
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6L
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BU of 7s6l by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut7 S protein (conformation 3)
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, J08 fragment antigen binding heavy chain variable domain, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2021-09-14
公開日2022-05-11
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7S6K
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BU of 7s6k by Molmil
J08 fragment antigen binding in complex with SARS-CoV-2-6P-Mut2 S protein (conformation 2)
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, J08 fragment antigen binding heavy chain variable domain, ...
著者Ozorowski, G, Torres, J.L, Ward, A.B.
登録日2021-09-14
公開日2022-05-11
最終更新日2022-05-25
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structural insights of a highly potent pan-neutralizing SARS-CoV-2 human monoclonal antibody.
Proc.Natl.Acad.Sci.USA, 119, 2022
7T79
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BU of 7t79 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE
分子名称: Isoform 2 of Hexokinase-4, alpha-D-glucopyranose, diethyl {[3-(3-{[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy}-5-[(propan-2-yl)oxy]benzamido)-1H-pyrazol-1-yl]methyl}phosphonate
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
7T78
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BU of 7t78 by Molmil
CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE
分子名称: 1,2-ETHANEDIOL, Isoform 2 of Hexokinase-4, SODIUM ION, ...
著者Muckelbauer, J.K.
登録日2021-12-14
公開日2022-03-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1 H -pyrazol-1-yl)methyl)phosphonate (BMS-820132).
J.Med.Chem., 65, 2022
4N6F
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BU of 4n6f by Molmil
Crystal structure of Amycolatopsis orientalis BexX complexed with G6P
分子名称: CALCIUM ION, FRUCTOSE -6-PHOSPHATE, Putative thiosugar synthase
著者Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
登録日2013-10-11
公開日2014-05-14
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
4N6E
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BU of 4n6e by Molmil
Crystal structure of Amycolatopsis orientalis BexX/CysO complex
分子名称: Putative thiosugar synthase, SULFATE ION, ThiS/MoaD family protein
著者Zhang, X, Zhang, Y, Kinsland, C, Sasaki, E, Sun, H.G, Lu, M.J, Liu, T, Ou, A, Li, J, Chen, Y, Liu, H, Ealick, S.E.
登録日2013-10-11
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Co-opting sulphur-carrier proteins from primary metabolic pathways for 2-thiosugar biosynthesis.
Nature, 509, 2014
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 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, BA7054 fab, ...
著者Liu, Z, Lui, S, Gao, Y.
登録日2022-03-27
公開日2023-03-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
6KK7
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BU of 6kk7 by Molmil
Structure of thermal-stabilised(M6) human GLP-1 receptor transmembrane domain
分子名称: Glucagon-like peptide 1 receptor,Endolysin,Glucagon-like peptide 1 receptor, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine
著者Song, G.
登録日2019-07-23
公開日2019-11-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mutagenesis facilitated crystallization of GLP-1R.
Iucrj, 6, 2019
5YXI
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BU of 5yxi by Molmil
Designed protein dRafX6
分子名称: Designed protein dRafX6
著者Liu, R.
登録日2017-12-05
公開日2018-12-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability.
Biotechnol.Bioeng., 118, 2021
6LP7
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BU of 6lp7 by Molmil
Crystal structure of human DHODH in complex with inhibitor 0944
分子名称: 3-[3,5-bis(fluoranyl)-4-(3-methoxyphenyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Chen, Q, Yu, Y.
登録日2020-01-09
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020
6LP8
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BU of 6lp8 by Molmil
Crystal structure of human DHODH in complex with inhibitor 1243
分子名称: 3-[4-[3-(dimethylamino)phenyl]-3,5-bis(fluoranyl)phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Chen, Q, Yu, Y.
登録日2020-01-09
公開日2020-09-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production.
J.Med.Chem., 63, 2020

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