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8IMG
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BU of 8img by Molmil
Human cGAS catalytic domain bound with C20
Descriptor: 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
Authors:Zhao, W.F, Li, J.M, Xu, Y.C.
Deposit date:2023-03-06
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ...
Authors: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.
Deposit date:2019-02-08
Release date:2019-04-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (11 Å)
Cite: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
Descriptor: Cullin-2, Elongin-B, Elongin-C, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-05-15
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite: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
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-05-15
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite: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
Descriptor: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
Authors: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.
Deposit date:2019-02-07
Release date:2019-05-15
Last modified:2019-05-22
Method:X-RAY DIFFRACTION (2.316 Å)
Cite: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
Descriptor: (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
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite: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)
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, ...
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxycytidine, SODIUM ION, ...
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.74 Å)
Cite: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
Descriptor: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, SULFATE ION, ...
Authors:Sacco, M, Ma, C, Wang, J, Chen, Y.
Deposit date:2020-08-12
Release date:2020-08-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.48 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2'-deoxy-2'-fluoro-2'-methyluridine, SODIUM ION, ...
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite: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
Descriptor: N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (2.31 Å)
Cite: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
Descriptor: N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite: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
Descriptor: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, N-hydroxy-5'-O-(2-methylpropanoyl)cytidine, Sodium/nucleoside cotransporter
Authors:Wright, N.J, Lee, S.-Y.
Deposit date:2023-08-26
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite: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
Descriptor: 2F2 heavy chain, 2F2 light chain, JEV E protein, ...
Authors:Qiu, X, Lei, Y.F, Yang, P, Gao, Q, Wang, N, Cao, L, Yuan, S, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Last modified:2018-09-12
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-05
Release date:2016-10-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.62 Å)
Cite: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
Descriptor: Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ...
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: 2H4 heavy chain, 2H4 light chain, JEV E protein, ...
Authors: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.
Deposit date:2017-11-29
Release date:2018-05-02
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite: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
Descriptor: Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ...
Authors:Dai, Z, Liang, L, Yin, Y.X.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite: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
Descriptor: (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
Authors:Pandit, J, Vajdos, F.
Deposit date:2010-05-04
Release date:2010-06-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.49 Å)
Cite: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
Descriptor: 2H4 heavy chain, 2H4 light chain
Authors:Qiu, X, Lei, Y, Yang, P, Gao, Q, Wang, N, Cao, L, Wang, X, Xu, Z.K, Rao, Z.
Deposit date:2017-11-29
Release date:2018-03-21
Method:X-RAY DIFFRACTION (2.206 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
Deposit date:2021-03-02
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite: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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