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6JC0
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Structural analysis of molybdopterin synthases from two mycobacteria pathogens
分子名称: Putative molybdenum cofactor biosynthesis protein, Putative molybdenum cofactor biosynthesis protein D2 (MoaD2) / thiamine S
著者Liu, X, Wang, H.Y.
登録日2019-01-27
公開日2019-02-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural analysis of molybdopterin synthases from two mycobacterial pathogens.
Biochem. Biophys. Res. Commun., 511, 2019
7X86
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The crystal structure of PloI4-F124L in complex with endo-4+2 adduct
分子名称: (4S,4aS,6aR,8R,9R,10aS,13S,14aS,18aR,18bR,E)-9-ethyl-4,8,19-trihydroxy-10a,12,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,10a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)benzo[b]naphtho[2,1-h][1]azacyclododecine-16,18(1H,15H)-dione, PloI4
著者Li, M, Pan, L.F.
登録日2022-03-11
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.303 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7X80
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The crystal structure of PloI4-C16M/D46A/I137V
分子名称: GLYCEROL, PloI4
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7X81
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The crystal structure of PloI4-C16M/D46A/I137V in complex with exo-2+2 adduct
分子名称: (4S,4aS,6aR,8R,9R,11E,12aR,14aS,17E,18aR,18bR)-9-ethyl-4,8,19-trihydroxy-11,12a,13,18a-tetramethyl-2,3,4,4a,6a,7,8,9,10,12a,13,14,18a,18b-tetradecahydro-14a,17-(metheno)cyclobuta[b]naphtho[2,1-j][1]azacyclotetradecine-16,18(1H,15H)-dione, PloI4
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.104 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7X7Z
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The crystal structure of 2+2/4+2 cyclase PloI4
分子名称: PloI4
著者Li, M, Pan, L.F.
登録日2022-03-10
公開日2023-02-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.903 Å)
主引用文献A cyclase that catalyses competing 2 + 2 and 4 + 2 cycloadditions.
Nat.Chem., 15, 2023
7DB7
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BU of 7db7 by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound GDI05-001
分子名称: 1-[3-[2-(1H-indol-3-yl)ethylsulfamoyl]phenyl]-3-(1,3-thiazol-2-yl)urea, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
著者Xu, M, Zhang, X, Xu, L, Chen, S.
登録日2020-10-19
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7DAW
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BU of 7daw by Molmil
Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase
分子名称: Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, SULFATE ION
著者Xu, M, Zhang, X, Xu, L, Chen, S.
登録日2020-10-18
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
7DB8
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Crystal structure of Mycobacterium tuberculosis phenylalanyl-tRNA synthetase in complex with compound PF-3845
分子名称: N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit, ...
著者Xu, M, Zhang, X, Xu, L, Chen, S.
登録日2020-10-19
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Re-discovery of PF-3845 as a new chemical scaffold inhibiting phenylalanyl-tRNA synthetase in Mycobacterium tuberculosis .
J.Biol.Chem., 2021
5VVF
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BU of 5vvf by Molmil
Crystal Structure of 354BG1 Fab
分子名称: 1,2-ETHANEDIOL, 354BG1 Heavy Chain, 354BG1 Light Chain
著者Scharf, L, Gristick, H.B, Bjorkman, P.J.
登録日2017-05-19
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Asymmetric recognition of HIV-1 Envelope trimer by V1V2 loop-targeting antibodies.
Elife, 6, 2017
8H7R
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BU of 8h7r by Molmil
Structure of nanobody 11A in complex with coumaphos
分子名称: Nanobody 11A, coumaphos
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of nanobody 11A in complex with coumaphos
To Be Published
8H7I
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Structure of nanobody 11A in complex with quinalphos
分子名称: Nanobody 11A, quinalphos
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of nanobody 11A in complex with quinalphos
To Be Published
8H7M
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BU of 8h7m by Molmil
Structure of nanobody 11A in complex with parathion
分子名称: Nanobody 11A, parathion
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structure of nanobody 11A in complex with parathion
To Be Published
8H7N
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BU of 8h7n by Molmil
Structure of nanobody 11A in complex with triazophos
分子名称: 1,2-ETHANEDIOL, Nanobody 11A, SODIUM ION, ...
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2022-10-20
公開日2023-10-25
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structure of nanobody 11A in complex with triazophos
To Be Published
8IRW
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BU of 8irw by Molmil
Structure of nanobody Nb9 against parathion
分子名称: nanobody Nb9 against parathion
著者Wang, H, Li, J.D, Shen, X, Xu, Z.L, Sun, Y.M.
登録日2023-03-19
公開日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of nanobody Nb9 against parathion
To Be Published
7VEH
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BU of 7veh by Molmil
Type I-F Anti-CRISPR protein AcrIF13
分子名称: AcrIF13
著者Gao, T, Feng, Y.
登録日2021-09-08
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
7FI4
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Structure of AcrIF13
分子名称: AcrIF13
著者Feng, Y, Gao, T.
登録日2021-07-30
公開日2022-07-06
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.03 Å)
主引用文献Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
4W2R
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BU of 4w2r by Molmil
Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one
分子名称: 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ...
著者Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E.
登録日2017-09-25
公開日2017-12-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
7BTF
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BU of 7btf by Molmil
SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition
分子名称: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日2020-04-01
公開日2020-04-08
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.95 Å)
主引用文献Structure of the RNA-dependent RNA polymerase from COVID-19 virus.
Science, 368, 2020
7BZF
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BU of 7bzf by Molmil
COVID-19 RNA-dependent RNA polymerase post-translocated catalytic complex
分子名称: Non-structural protein 7, Non-structural protein 8, RNA (31-MER), ...
著者Wang, Q, Gao, Y, Ji, W, Mu, A, Rao, Z.
登録日2020-04-27
公開日2020-06-03
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Structural Basis for RNA Replication by the SARS-CoV-2 Polymerase.
Cell, 182, 2020
7YVL
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BU of 7yvl by Molmil
Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
分子名称: Spike glycoprotein, TH272 Fab heavy chain, TH272 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVI
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BU of 7yvi by Molmil
Omicron BA.4/5 SARS-CoV-2 S in complex with TH236 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH236 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVN
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH281 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH281 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVK
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH272 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH272 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVG
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Omicron BA.4/5 SARS-CoV-2 S in complex with TH132 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TH132 Fab heavy chain, ...
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023
7YVM
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Omicron BA.4/5 SARS-CoV-2 S RBD in complex with TH272 Fab
分子名称: Spike glycoprotein, TH281 Fab heavy chain, TH281 Fab light chain
著者Guo, Y, Zhang, G, Liang, J, Liu, F, Rao, Z.
登録日2022-08-19
公開日2023-06-28
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection.
Nat Commun, 14, 2023

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