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8IMG
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BU of 8img by Molmil
Human cGAS catalytic domain bound with C20
分子名称: 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Li, J.M, Xu, Y.C.
登録日2023-03-06
公開日2024-01-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
6JFI
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BU of 6jfi by Molmil
The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
分子名称: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ...
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-08
公開日2019-04-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (11 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
8JE2
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BU of 8je2 by Molmil
Cryo-EM structure of neddylated Cul2-Rbx1-EloBC-FEM1B complexed with FNIP1-FLCN
分子名称: Cullin-2, Elongin-B, Elongin-C, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
8JE1
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BU of 8je1 by Molmil
An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-05-15
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
分子名称: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
著者Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
登録日2019-02-07
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.316 Å)
主引用文献Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
8TZ4
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BU of 8tz4 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with GS-441524, subset reconstruction
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZD
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BU of 8tzd by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 1, INT1-INT1-OFS conformation (3DVA analysis)
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ1
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BU of 8tz1 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, ...
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (2.54 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ2
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BU of 8tz2 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in MSP2N2 nanodiscs, apo state
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ7
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BU of 8tz7 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 1, INT1-INT1-INT1 conformation
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ5
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BU of 8tz5 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with N-hydroxycytidine
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxycytidine, SODIUM ION, ...
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (2.74 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
7JRN
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BU of 7jrn by Molmil
Crystal structure of the wild type SARS-CoV-2 papain-like protease (PLPro) with inhibitor GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
著者Sacco, M, Ma, C, Wang, J, Chen, Y.
登録日2020-08-12
公開日2020-08-26
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Discovery of SARS-CoV-2 Papain-like Protease Inhibitors through a Combination of High-Throughput Screening and a FlipGFP-Based Reporter Assay.
Acs Cent.Sci., 7, 2021
8TZ6
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BU of 8tz6 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with PSI-6206
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2'-deoxy-2'-fluoro-2'-methyluridine, SODIUM ION, ...
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (2.69 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZA
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BU of 8tza by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 2, INT2-INT1-INT1 conformation
分子名称: N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.43 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ3
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BU of 8tz3 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with GS-441524, consensus reconstruction
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (2.31 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ9
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BU of 8tz9 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 2, INT2-INT2-INT2 conformation
分子名称: N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
8TZ8
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BU of 8tz8 by Molmil
Cryo-EM structure of bovine concentrative nucleoside transporter 3 in complex with Molnupiravir, condition 1, INT1-INT1-INT3 conformation
分子名称: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
著者Wright, N.J, Lee, S.-Y.
登録日2023-08-26
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.19 Å)
主引用文献Antiviral drug recognition and elevator-type transport motions of CNT3.
Nat.Chem.Biol., 2024
5YWO
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BU of 5ywo by Molmil
Structure of JEV-2F2 Fab complex
分子名称: 2F2 heavy chain, 2F2 light chain, JEV E protein, ...
著者Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z.
登録日2017-11-29
公開日2018-03-21
最終更新日2018-09-12
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
5LSY
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BU of 5lsy by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
著者Tisi, D, Pathuri, P, Heightman, T.
登録日2016-09-05
公開日2016-10-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5LT6
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BU of 5lt6 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
分子名称: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
著者Tisi, D, Pathuri, P, Heightman, T.
登録日2016-09-06
公開日2016-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
5YWP
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BU of 5ywp by Molmil
JEV-2H4 Fab complex
分子名称: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
著者Qiu, X.D, Lei, Y.F, Yang, P, Gao, Q, WANG, N, Cao, L, Yuan, S, Wang, X.X, Xu, Z.K, Rao, Z.H.
登録日2017-11-29
公開日2018-05-02
実験手法ELECTRON MICROSCOPY (4.6 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
8IJ1
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BU of 8ij1 by Molmil
Protomer 1 and 2 of the asymmetry trimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complex
分子名称: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
著者Dai, Z, Liang, L, Yin, Y.X.
登録日2023-02-24
公開日2024-02-28
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
3MVJ
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BU of 3mvj by Molmil
Human cyclic AMP-dependent protein kinase PKA inhibitor complex
分子名称: (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Pandit, J, Vajdos, F.
登録日2010-05-04
公開日2010-06-02
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Design of selective, ATP-competitive inhibitors of Akt.
J.Med.Chem., 53, 2010
5YWF
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BU of 5ywf by Molmil
Crystal structure of 2H4 Fab
分子名称: 2H4 heavy chain, 2H4 light chain
著者Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
登録日2017-11-29
公開日2018-03-21
実験手法X-RAY DIFFRACTION (2.206 Å)
主引用文献Structural basis for neutralization of Japanese encephalitis virus by two potent therapeutic antibodies
Nat Microbiol, 3, 2018
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
著者Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
登録日2021-03-02
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021

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件を2024-09-04に公開中

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