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7ATX
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BU of 7atx by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4)
分子名称: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.795 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU8
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BU of 7au8 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13)
分子名称: 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU9
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BU of 7au9 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14)
分子名称: GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7ATW
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BU of 7atw by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3)
分子名称: 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AUB
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BU of 7aub by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15)
分子名称: 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AUH
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BU of 7auh by Molmil
Structure of P. aeruginosa PBP3 in complex with vaborbactam
分子名称: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-03
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7AU1
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BU of 7au1 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12)
分子名称: 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7BEM
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BU of 7bem by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 scFv
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-269 Vh domain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEH
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BU of 7beh by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-316 heavy chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEO
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BU of 7beo by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEN
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BU of 7ben by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEI
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BU of 7bei by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-150 heavy chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEP
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BU of 7bep by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs
分子名称: CHLORIDE ION, COVOX-384 heavy chain, COVOX-384 light chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-24
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEJ
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BU of 7bej by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEL
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BU of 7bel by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7BEK
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BU of 7bek by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Zhou, D, Zhao, Y, Ren, J, Stuart, D.
登録日2020-12-23
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The antigenic anatomy of SARS-CoV-2 receptor binding domain.
Cell, 184, 2021
7Z3Z
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BU of 7z3z by Molmil
Locked Wuhan SARS-CoV2 Prefusion Spike ectodomain with lipid bound
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, STEARIC ACID, ...
著者Duyvesteyn, H.M.E, Carrique, L, Ren, J, Stuart, D.I, Fry, E.E.
登録日2022-03-03
公開日2022-05-04
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献The SARS-CoV-2 Spike harbours a lipid binding pocket which modulates stability of the prefusion trimer
bioRxiv, 2020

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件を2024-06-12に公開中

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