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PDB: 160 results

6LXK
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BU of 6lxk by Molmil
Crystal structure of Z2B3 D102R Fab in complex with influenza virus neuraminidase from A/Serbia/NS-601/2014 (H1N1)
Descriptor: CALCIUM ION, Heavy chain of Z2B3-D102R Fab, Light chain of Z2B3-D102R Fab, ...
Authors:Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y.
Deposit date:2020-02-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.608 Å)
Cite:Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.
Mbio, 11, 2020
6LXJ
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BU of 6lxj by Molmil
Crystal structure of human Z2B3 Fab in complex with influenza virus neuraminidase from A/Anhui/1/2013 (H7N9)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Heavy chain of Z2B3 Fab, ...
Authors:Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y.
Deposit date:2020-02-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.
Mbio, 11, 2020
6LXI
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BU of 6lxi by Molmil
Crystal structure of Z2B3 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
Descriptor: CALCIUM ION, Heavy chain of Z2B3 Fab, Light chain of Z2B3 Fab, ...
Authors:Jiang, H, Peng, W, Qi, J, Chai, Y, Song, H, Shi, Y, Gao, G.F, Wu, Y.
Deposit date:2020-02-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-Based Modification of an Anti-neuraminidase Human Antibody Restores Protection Efficacy against the Drifted Influenza Virus.
Mbio, 11, 2020
5Y1Y
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BU of 5y1y by Molmil
Complex structure of nitroxoline with the first bromodomain of BRD4
Descriptor: 5-nitroquinolin-8-ol, Bromodomain-containing protein 4
Authors:Jiang, H, Luo, C.
Deposit date:2017-07-21
Release date:2017-11-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:Discovery of novel BET inhibitors by drug repurposing of nitroxoline and its analogues.
Org. Biomol. Chem., 15, 2017
7WZA
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BU of 7wza by Molmil
An open conformation Form 1 of switch II for RhoA
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA
Authors:Jiang, H, Luo, C.
Deposit date:2022-02-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.50028777 Å)
Cite:A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
7WZC
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BU of 7wzc by Molmil
An open conformation Form2 of switch II for RhoA GDP-bound state
Descriptor: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Jiang, H, Luo, C.
Deposit date:2022-02-17
Release date:2023-02-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.79944921 Å)
Cite:A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
7CPD
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BU of 7cpd by Molmil
Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
Descriptor: (6R)-6-[(6-bromanyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Jiang, H, Luo, C.
Deposit date:2020-08-06
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.506 Å)
Cite:Crystal structure of T2R-TTL-(+)-6-Br-JP18 complex
To Be Published
7CPQ
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BU of 7cpq by Molmil
crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
Descriptor: (6R)-6-[(6-chloranyl-1H-indol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Jiang, H, Luo, C.
Deposit date:2020-08-07
Release date:2021-08-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:crystal structure of T2R-TTL-(+)-6-Cl-JP18 complex
To Be Published
7E9F
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BU of 7e9f by Molmil
Cryo-EM structure of the 2:1 Orc1 BAH domain in complex with nucleosome
Descriptor: DNA (147-mer), Histone H2A.2, Histone H2B.2, ...
Authors:Jiang, H, Yu, C, Liu, C.P, Han, X, Yu, Z, Xu, R.M.
Deposit date:2021-03-04
Release date:2022-09-07
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Nucleosome binding relinquishes the association of the BAH domain of Orc1 with Sir1
To Be Published
7E9C
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BU of 7e9c by Molmil
Cryo-EM structure of the 1:1 Orc1 BAH domain in complex with nucleosome
Descriptor: DNA (147-mer), Histone H2A.2, Histone H2B.2, ...
Authors:Jiang, H, Yu, C, Liu, C.P, Han, X, Yu, Z, Xu, R.M.
Deposit date:2021-03-04
Release date:2022-09-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Nucleosome binding relinquishes the association of the BAH domain of Orc1 with Sir1
To Be Published
3CF8
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BU of 3cf8 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with quercetin
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, BENZAMIDINE, ...
Authors:Zhang, L, Wu, D, Liu, W, Shen, X, Jiang, H.
Deposit date:2008-03-03
Release date:2008-12-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three flavonoids targeting the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: crystal structure characterization with enzymatic inhibition assay
Protein Sci., 17, 2008
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
3C5Q
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BU of 3c5q by Molmil
Crystal structure of diaminopimelate decarboxylase (I148L mutant) from Helicobacter pylori complexed with L-lysine
Descriptor: Diaminopimelate decarboxylase, GLYCEROL, LYSINE, ...
Authors:Hu, T, Wu, D, Jiang, H, Shen, X.
Deposit date:2008-02-01
Release date:2008-05-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori
To be Published
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:2023-11-01
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
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
5IZ9
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BU of 5iz9 by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-03-25
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
7BV1
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BU of 7bv1 by Molmil
Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex
Descriptor: Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
Authors:Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E.
Deposit date:2020-04-09
Release date:2020-04-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
7BV2
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BU of 7bv2 by Molmil
The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP)
Descriptor: MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ...
Authors:Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E.
Deposit date:2020-04-09
Release date:2020-04-22
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir.
Science, 368, 2020
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
2QGH
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BU of 2qgh by Molmil
Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori complexed with L-lysine
Descriptor: Diaminopimelate decarboxylase, GLYCEROL, LYSINE, ...
Authors:Hu, T, Wu, D, Jiang, H, Shen, X.
Deposit date:2007-06-28
Release date:2008-05-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of diaminopimelate decarboxylase from Helicobacter pylori complexed with L-lysine
TO BE PUBLISHED
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
Authors:Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-22
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.504 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
8EF5
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BU of 8ef5 by Molmil
Fentanyl-bound mu-opioid receptor-Gi complex
Descriptor: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFB
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BU of 8efb by Molmil
Oliceridine-bound mu-opioid receptor-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EF6
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BU of 8ef6 by Molmil
Morphine-bound mu-opioid receptor-Gi complex
Descriptor: (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhuang, Y, Wang, Y, Guo, S, Zhou, X.E, Rao, Q, He, X, He, B, Liu, J, Zhou, Q, Wang, X, Liu, W, Jiang, X, Yang, D, Chen, X, Jiang, Y, Jiang, H, Shen, J, Melcher, K, Wang, M, Xie, X, Xu, H.E.
Deposit date:2022-09-08
Release date:2022-11-09
Last modified:2022-11-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022

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