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8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.85 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8Z8X
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BU of 8z8x by Molmil
Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation
Descriptor: PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ...
Authors:Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X.
Deposit date:2024-04-22
Release date:2024-05-29
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses.
Nat Commun, 15, 2024
7YDY
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BU of 7ydy by Molmil
SARS-CoV-2 Spike (6P) in complex with 1 R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-04
Release date:2022-08-24
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YEG
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BU of 7yeg by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-05
Release date:2022-08-24
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YDI
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BU of 7ydi by Molmil
SARS-CoV-2 Spike (6P) in complex with 3 R1-32 Fabs and 3 ACE2, focused refinement of RBD region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32, Light chain of R1-32, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-04
Release date:2022-08-24
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
7YE5
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BU of 7ye5 by Molmil
SARS-CoV-2 Spike (6P) in complex with 2 R1-32 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, X, He, J, Chen, L, Xiong, X.
Deposit date:2022-07-05
Release date:2022-08-24
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (6.75 Å)
Cite:SARS-CoV-2 Delta and Omicron variants evade population antibody response by mutations in a single spike epitope.
Nat Microbiol, 7, 2022
4R3M
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BU of 4r3m by Molmil
Crystal structure of Human Hsp90 with JR9
Descriptor: Heat shock protein HSP 90-alpha, N~3~-benzyl-2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]imidazo[1,2-a]pyrazine-3,8-diamine
Authors:Li, J, Yang, M, Ren, J, Xiong, B, He, J.
Deposit date:2014-08-16
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Multi-substituted 8-aminoimidazo[1,2-a]pyrazines by Groebke-Blackburn-Bienayme reaction and their Hsp90 inhibitory activity.
Org.Biomol.Chem., 13, 2015
8IVH
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BU of 8ivh by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-27
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:crystal structure of SulE mutant
To Be Published
8J7L
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BU of 8j7l by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-04-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:crystal structure of SulE mutant
To Be Published
8IW8
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BU of 8iw8 by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-03-29
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:crystal structure of SulE mutant
To Be Published
8J7I
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BU of 8j7i by Molmil
crystal structure of SulE mutant
Descriptor: Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Liu, B, He, J, Ran, T, Wang, W.
Deposit date:2023-04-27
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:crystal structure of SulE mutant
To Be Published
5GZN
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BU of 5gzn by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody Heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2016-12-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
5GZO
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BU of 5gzo by Molmil
Structure of neutralizing antibody bound to Zika envelope protein
Descriptor: Antibody heavy chain, Antibody light chain, Genome polyprotein
Authors:Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F.
Deposit date:2016-09-29
Release date:2017-01-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus
Sci Transl Med, 8, 2016
3TIC
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BU of 3tic by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3MU6
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BU of 3mu6 by Molmil
Inhibiting the Binding of Class IIa Histone Deacetylases to Myocyte Enhancer Factor-2 by Small Molecules
Descriptor: (3E)-N~8~-(2-aminophenyl)-N~1~-phenyloct-3-enediamide, DNA (5'-D(*AP*AP*AP*GP*CP*TP*AP*TP*TP*AP*TP*TP*AP*GP*CP*TP*T)-3'), DNA (5'-D(*TP*AP*AP*GP*CP*TP*AP*AP*TP*AP*AP*TP*AP*GP*CP*TP*T)-3'), ...
Authors:Jayathilaka, N, Han, A, Gaffney, K, Dey, R, He, J, Ye, J, Gao, T, Petasis, N.A, Chen, L.
Deposit date:2010-05-01
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.434 Å)
Cite:Inhibition of the function of class IIa HDACs by blocking their interaction with MEF2.
Nucleic Acids Res., 40, 2012
3TI3
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BU of 3ti3 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
7YTY
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BU of 7yty by Molmil
Mouse SVCT1 in an apo state
Descriptor: Solute carrier family 23 member 1
Authors:She, J, Wang, M, He, J, Zhang, K, Li, S.
Deposit date:2022-08-16
Release date:2023-05-03
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural basis of vitamin C recognition and transport by mammalian SVCT1 transporter.
Nat Commun, 14, 2023
7YTW
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BU of 7ytw by Molmil
Structural basis of vitamin C recognition and transport by mammalian SVCT1 transporter
Descriptor: ASCORBIC ACID, SODIUM ION, Solute carrier family 23 member 1
Authors:She, J, Wang, M, He, J, Zhang, K, Li, S.
Deposit date:2022-08-16
Release date:2023-05-03
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of vitamin C recognition and transport by mammalian SVCT1 transporter.
Nat Commun, 14, 2023
3TI8
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BU of 3ti8 by Molmil
Crystal structure of influenza A virus neuraminidase N5 complexed with laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI4
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BU of 3ti4 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with laninamivir octanoate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, ACETATE ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TIA
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BU of 3tia by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI5
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BU of 3ti5 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with Zanamivir
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TI6
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BU of 3ti6 by Molmil
Crystal structure of 2009 pandemic H1N1 neuraminidase complexed with oseltamivir
Descriptor: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
3TIB
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BU of 3tib by Molmil
Crystal structure of 1957 pandemic H2N2 neuraminidase complexed with laninamivir octanoate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
Authors:Vavricka, C.J, Li, Q, Wu, Y, Qi, J, Wang, M, Liu, Y, Gao, F, Liu, J, Feng, E, He, J, Wang, J, Liu, H, Jiang, H, Gao, G.F.
Deposit date:2011-08-20
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural and functional analysis of laninamivir and its octanoate prodrug reveals group specific mechanisms for influenza NA inhibition
Plos Pathog., 7, 2011
4L8Z
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BU of 4l8z by Molmil
Crystal structure of Human Hsp90 with RL1
Descriptor: Heat shock protein HSP 90-alpha, [5-(6-bromo[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2,4-dihydroxyphenyl](3,4-dihydroisoquinolin-2(1H)-yl)methanone
Authors:Li, J, Ren, J, Yang, M, Xiong, B, He, J.
Deposit date:2013-06-18
Release date:2014-06-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization
Bioorg.Med.Chem.Lett., 24, 2014

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