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4QZV
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BU of 4qzv by Molmil
Bat-derived coronavirus HKU4 uses MERS-CoV receptor human CD26 for cell entry
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, Dipeptidyl peptidase 4, ...
著者Gao, F.G, Wang, Q.H, Qi, J.X, Lu, G.W.
登録日2014-07-29
公開日2014-10-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Bat Origins of MERS-CoV Supported by Bat Coronavirus HKU4 Usage of Human Receptor CD26.
Cell Host Microbe, 16, 2014
5X8I
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BU of 5x8i by Molmil
Crystal structure of human CLK1 in complex with compound 25
分子名称: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]-[1,2,3]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole, Dual specificity protein kinase CLK1
著者Sun, Q.Z, Lin, G.F, Li, L.L, Jin, X.T, Huang, L.Y, Zhang, G, Wei, Y.Q, Lu, G.W, Yang, S.Y.
登録日2017-03-02
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Cdc2-Like Kinase 1 (CLK1) as a New Class of Autophagy Inducers
J. Med. Chem., 60, 2017
8GP6
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BU of 8gp6 by Molmil
Structure of the vaccinia virus A16/G9 sub-complex from the orthopoxvirus entry-fusion complex
分子名称: GLYCEROL, Myristoylated protein G9, Virion membrane protein A16
著者Lu, G.W, Yang, F.L, Lin, S.
登録日2022-08-25
公開日2023-05-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of poxvirus A16/G9 binding for sub-complex formation.
Emerg Microbes Infect, 12, 2023
7EFP
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BU of 7efp by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (S19W,N330Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Lu, G.W, Ye, F, Lin, X.
登録日2021-03-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
7EFR
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BU of 7efr by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain in complex with high affinity ACE2 mutant (T27W,N330Y)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike glycoprotein
著者Lu, G.W, Ye, F, Lin, X.
登録日2021-03-23
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献S19W, T27W, and N330Y mutations in ACE2 enhance SARS-CoV-2 S-RBD binding toward both wild-type and antibody-resistant viruses and its molecular basis.
Signal Transduct Target Ther, 6, 2021
7Y9N
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BU of 7y9n by Molmil
an engineered 5-helix bundle derived from SARS-CoV-2 S2 in complex with HR2P
分子名称: SARS-coV-2 S2 subunit, Spike protein S2',5HB-H2
著者Lu, G.W, Lin, X, Guo, L.Y, Lin, S.
登録日2022-06-25
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献An engineered 5-helix bundle derived from SARS-CoV-2 S2 pre-binds sarbecoviral spike at both serological- and endosomal-pH to inhibit virus entry.
Emerg Microbes Infect, 11, 2022
8H5T
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BU of 8h5t by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-015
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb-015, Spike protein S1
著者Yang, J, Lin, S, Lu, G.W.
登録日2022-10-13
公開日2023-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
8GY9
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BU of 8gy9 by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-methionine
分子名称: Methyltransferase, S-ADENOSYLMETHIONINE
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8H5U
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BU of 8h5u by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-021
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, Nanobody Nb-021, ...
著者Yang, J, Lin, S, Lu, G.W.
登録日2022-10-13
公開日2023-10-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Development of a bispecific nanobody conjugate broadly neutralizes diverse SARS-CoV-2 variants and structural basis for its broad neutralization.
Plos Pathog., 19, 2023
8GYB
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BU of 8gyb by Molmil
Crystal structure of Alongshan virus methyltransferase bound to S-adenosyl-L-homocysteine
分子名称: Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-22
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GYA
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BU of 8gya by Molmil
Crystal structure of Alongshan virus methyltransferase bound to Sinefungin
分子名称: Methyltransferase, SINEFUNGIN
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
8GY4
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BU of 8gy4 by Molmil
Crystal structure of Alongshan virus methyltransferase
分子名称: Methyltransferase
著者Chen, H, Lin, S, Lu, G.W.
登録日2022-09-21
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and functional basis of low-affinity SAM/SAH-binding in the conserved MTase of the multi-segmented Alongshan virus distantly related to canonical unsegmented flaviviruses.
Plos Pathog., 19, 2023
7C7P
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BU of 7c7p by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Telaprevir
分子名称: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, CHLORIDE ION
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Yang, S.Y, Lei, J.
登録日2020-05-26
公開日2020-07-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7COM
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BU of 7com by Molmil
Crystal structure of the SARS-CoV-2 main protease in complex with Boceprevir (space group P212121)
分子名称: 3C-like proteinase, boceprevir (bound form)
著者Zeng, R, Qiao, J.X, Wang, Y.F, Li, Y.S, Yao, R, Liu, J.M, Zhou, Y.L, Chen, P, Yang, S.Y, Lei, J.
登録日2020-08-04
公開日2020-08-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7D3I
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BU of 7d3i by Molmil
Crystal structure of SARS-CoV-2 main protease in complex with MI-23
分子名称: (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase
著者Zeng, R, Li, Y.S, Qiao, J.X, Wang, Y.F, Yang, S.Y, Lei, J.
登録日2020-09-19
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.004 Å)
主引用文献SARS-CoV-2 M pro inhibitors with antiviral activity in a transgenic mouse model.
Science, 371, 2021
7C2J
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BU of 7c2j by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (without additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.799 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7C2I
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BU of 7c2i by Molmil
Crystal structure of nsp16-nsp10 heterodimer from SARS-CoV-2 in complex with SAM (with additional SAM during crystallization)
分子名称: 2'-O-methyltransferase, Non-structural protein 10, S-ADENOSYLMETHIONINE, ...
著者Lin, S, Chen, H, Ye, F, Chen, Z.M, Yang, F.L, Zheng, Y, Cao, Y, Qiao, J.X, Yang, S.Y, Lu, G.W.
登録日2020-05-07
公開日2020-05-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10/nsp16 2'-O-methylase and its implication on antiviral drug design.
Signal Transduct Target Ther, 5, 2020
7DIY
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BU of 7diy by Molmil
Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-exoribonuclease domain
分子名称: MAGNESIUM ION, ZINC ION, nsp10 protein, ...
著者Lin, S, Chen, H, Chen, Z.M, Yang, F.L, Ye, F, Zheng, Y, Yang, J, Lin, X, Sun, H.L, Wang, L.L, Wen, A, Cao, Y, Lu, G.W.
登録日2020-11-19
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.693 Å)
主引用文献Crystal structure of SARS-CoV-2 nsp10 bound to nsp14-ExoN domain reveals an exoribonuclease with both structural and functional integrity.
Nucleic Acids Res., 49, 2021
7W1S
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BU of 7w1s by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain in complex with neutralizing nanobody Nb-007
分子名称: Nanobody Nb-007, Spike protein S1
著者Yang, J, Lin, S, Sun, H.L, Lu, G.W.
登録日2021-11-20
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献A Potent Neutralizing Nanobody Targeting the Spike Receptor-Binding Domain of SARS-CoV-2 and the Structural Basis of Its Intimate Binding.
Front Immunol, 13, 2022
7YTU
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BU of 7ytu by Molmil
Crystal structure of vaccinia virus G3/L5 sub-complex (SeMet-labeled, P31 space group)
分子名称: Protein G3, Protein L5
著者Lin, S, Yue, D, Lu, G.W.
登録日2022-08-16
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Crystal structure of vaccinia virus G3/L5 sub-complex reveals a novel fold with extended inter-molecule interactions conserved among orthopoxviruses.
Emerg Microbes Infect, 12, 2023
7YTT
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BU of 7ytt by Molmil
Crystal structure of vaccinia virus G3/L5 sub-complex (SeMet-labeled, P21 space group)
分子名称: Protein G3, Protein L5
著者Lin, S, Yue, D, Lu, G.W.
登録日2022-08-16
公開日2023-02-08
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Crystal structure of vaccinia virus G3/L5 sub-complex reveals a novel fold with extended inter-molecule interactions conserved among orthopoxviruses.
Emerg Microbes Infect, 12, 2023
6JFW
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BU of 6jfw by Molmil
Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket
分子名称: PA0833-PD protein
著者Lin, X, Ye, F, Lin, S, Yang, F.L, Chen, Z.M, Cao, Y, Chen, Z.J, Gu, J, Lu, G.W.
登録日2019-02-12
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Crystal structure of PA0833 periplasmic domain from Pseudomonas aeruginosa reveals an unexpected enlarged peptidoglycan binding pocket.
Biochem. Biophys. Res. Commun., 511, 2019
6LGW
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BU of 6lgw by Molmil
Structure of Rabies virus glycoprotein in complex with neutralizing antibody 523-11 at acidic pH
分子名称: Glycoprotein, scFv 523-11
著者Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
登録日2019-12-06
公開日2020-02-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.9037 Å)
主引用文献Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
6LGX
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BU of 6lgx by Molmil
Structure of Rabies virus glycoprotein at basic pH
分子名称: Glycoprotein,Glycoprotein,Glycoprotein
著者Yang, F.L, Lin, S, Ye, F, Yang, J, Qi, J.X, Chen, Z.J, Lin, X, Wang, J.C, Yue, D, Cheng, Y.W, Chen, Z.M, Chen, H, You, Y, Zhang, Z.L, Yang, Y, Yang, M, Sun, H.L, Li, Y.H, Cao, Y, Yang, S.Y, Wei, Y.Q, Gao, G.F, Lu, G.W.
登録日2019-12-06
公開日2020-02-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.097 Å)
主引用文献Structural Analysis of Rabies Virus Glycoprotein Reveals pH-Dependent Conformational Changes and Interactions with a Neutralizing Antibody.
Cell Host Microbe, 27, 2020
6LS9
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BU of 6ls9 by Molmil
Crystal structure of bovine herpesvirus 1 glycoprotein D
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein D
著者Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W.
登録日2020-01-17
公開日2020-06-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020

 

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