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8HPM
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BU of 8hpm by Molmil
LpqY-SugABC in state 2
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPN
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LpqY-SugABC in state 3
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPS
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LpqY-SugABC in state 5
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPL
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BU of 8hpl by Molmil
LpqY-SugABC in state 1
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (4.29 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPR
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BU of 8hpr by Molmil
LpqY-SugABC in state 4
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2023-10-18
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
7CA8
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BU of 7ca8 by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
分子名称: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione, 3C-like proteinase
著者Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease in complex with the natural product inhibitor shikonin illuminates a unique binding mode.
Sci Bull (Beijing), 66, 2021
7YGQ
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BU of 7ygq by Molmil
Crystal structure of SARS main protease in complex with inhibitor YH-53
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Lin, C, Zhong, F.L, Zhou, X.L, Zeng, P, Zhang, J, Li, J.
登録日2022-07-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
4N1Z
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BU of 4n1z by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222
分子名称: Farnesyl pyrophosphate synthase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Liu, Y.L, Xia, Y, Zhang, Y, Verma, I, Oldfield, E.
登録日2013-10-04
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A combination therapy for KRAS-driven lung adenocarcinomas using lipophilic bisphosphonates and rapamycin.
Sci Transl Med, 6, 2014
7E6R
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BU of 7e6r by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.6
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-02-23
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6L
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BU of 7e6l by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.0
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-02-22
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78037143 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6M
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BU of 7e6m by Molmil
Crystal structure of Human coronavirus NL63 3C-like protease
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2021-02-22
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.83445024 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7E6N
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BU of 7e6n by Molmil
Crystal structure of HCoV-NL63 3C-like protease,pH5.2
分子名称: 3C-like proteinase
著者Gao, H.X, Zhang, Y.T, Zhou, X.L, Zhong, F.L, Li, J, Zhang, J.
登録日2021-02-22
公開日2021-10-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8413 Å)
主引用文献Crystal structures of human coronavirus NL63 main protease at different pH values
Acta Crystallogr.,Sect.F, 77, 2021
7XRY
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BU of 7xry by Molmil
Crystal structure of MERS main protease in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a
著者Lin, C, Zhong, F.L, Zhou, X.L, Li, J, Zhang, J.
登録日2022-05-12
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
7XRS
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BU of 7xrs by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with inhibitor YH-53
分子名称: N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, Replicase polyprotein 1a
著者Zhou, X.L, Zhong, F.L, Lin, C, Zeng, P, Zhang, J, Li, J.
登録日2022-05-11
公開日2022-12-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Basis for the Inhibition of Coronaviral Main Proteases by a Benzothiazole-Based Inhibitor.
Viruses, 14, 2022
6K0Y
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BU of 6k0y by Molmil
Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor
分子名称: 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ...
著者Liu, J.X, Wang, G.Q.
登録日2019-05-08
公開日2019-12-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor.
Sci Rep, 9, 2019
7WP1
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BU of 7wp1 by Molmil
Cryo-EM structure of SARS-CoV-2 Mu S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
著者Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
登録日2022-01-22
公開日2022-07-13
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP5
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BU of 7wp5 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spikeprotein S1, VacW-209 heavy chain, ...
著者Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
登録日2022-01-22
公開日2022-07-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WON
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BU of 7won by Molmil
Cryo-EM structure of SARS-CoV-2 S2P trimer in complex with neutralizing antibody VacW-209 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
著者Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
登録日2022-01-22
公開日2022-07-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP2
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BU of 7wp2 by Molmil
Cryo-EM structure of SARS-CoV-2 C.1.2 S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, VacW-209 heavy chain, ...
著者Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
登録日2022-01-22
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.52 Å)
主引用文献Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
7WP0
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BU of 7wp0 by Molmil
Cryo-EM structure of SARS-CoV-2 Delta S6P trimer in complex with neutralizing antibody VacW-209 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IG c335_light_IGLV1-40_IGLJ3, Spike protein S1, ...
著者Zheng, Q, Sun, H, Ju, B, Zhang, Z, Li, S, Xia, N.
登録日2022-01-22
公開日2022-07-20
実験手法ELECTRON MICROSCOPY (3.71 Å)
主引用文献Immune escape by SARS-CoV-2 Omicron variant and structural basis of its effective neutralization by a broad neutralizing human antibody VacW-209.
Cell Res., 32, 2022
6A4C
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BU of 6a4c by Molmil
Solution structure of MXAN_0049
分子名称: Uncharacterized protein MXAN_0049
著者Chen, C, Feng, Y.
登録日2018-06-19
公開日2019-06-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of MXAN_0049
To Be Published
8UPW
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BU of 8upw by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 34
分子名称: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPS
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BU of 8ups by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 5
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION
著者Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UTE
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BU of 8ute by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 27
分子名称: 1,2-ETHANEDIOL, 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S)-6,6-difluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-31
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
8UPV
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BU of 8upv by Molmil
Structure of SARS-Cov2 3CLPro in complex with Compound 33
分子名称: 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6R)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate
著者Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J.
登録日2023-10-23
公開日2024-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024

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