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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
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
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
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
5B6G
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BU of 5b6g by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, GLYCEROL, PHQ-ALA-GLY-GLU-ALA-XYC-TYR-GLU, ...
Authors:Zhao, Y, Jiang, H, Yang, X, Jiang, F, Song, K, Zhang, J.
Deposit date:2016-05-27
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZ8
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BU of 5iz8 by Molmil
Protein-protein interaction
Descriptor: ACE-ALA-GLY-GLU-ALA-LEU-ALA-ASP-NH2, Adenomatous polyposis coli protein, TRIETHYLENE GLYCOL
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 (3.06 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
5IZA
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BU of 5iza by Molmil
Protein-protein interaction
Descriptor: ACE-GLY-GLY-GLU-ALA-LEU-ALA-TRP-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 (1.5 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
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
5IZ6
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BU of 5iz6 by Molmil
Protein-protein interaction
Descriptor: Adenomatous polyposis coli protein, DI(HYDROXYETHYL)ETHER, PHQ-ALA-GLY-GLU-ALA-LEU-TYR-GLU-NH2, ...
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 (2.15 Å)
Cite:Peptidomimetic inhibitors of APC-Asef interaction block colorectal cancer migration.
Nat. Chem. Biol., 13, 2017
6MS7
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BU of 6ms7 by Molmil
Peroxisome proliferator-activated receptor gamma ligand binding domain in complex with a novel selective PPAR-gamma modulator VSP-77
Descriptor: PGC1 LXXLL motif, Peroxisome proliferator-activated receptor gamma, {[(1S)-1-(4-chlorophenyl)octyl]oxy}acetic acid
Authors:Yi, W, Jiang, H, Zhou, X.E, Shi, J, Zhao, G, Zhang, X, Sun, Y, Suino-Powell, K, Li, J, Li, J, Melcher, K, Xu, H.E.
Deposit date:2018-10-16
Release date:2019-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Identification and structural insight of an effective PPAR gamma modulator with improved therapeutic index for anti-diabetic drug discovery.
Chem Sci, 11, 2020
5XM2
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BU of 5xm2 by Molmil
Human N-terminal domain of FACT complex subunit SPT16
Descriptor: DI(HYDROXYETHYL)ETHER, FACT complex subunit SPT16, GLYCEROL
Authors:Xu, S, Li, H, Dou, Y, Chen, Y, Jiang, H, Lu, D, Wang, M, Su, D.
Deposit date:2017-05-12
Release date:2018-05-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:The structural basis of human Spt16 N-terminal domain interaction with histone (H3-H4)2tetramer.
Biochem.Biophys.Res.Commun., 508, 2019
7Y7I
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BU of 7y7i by Molmil
chicken KNL2 in complex with the CENP-A nucleosome
Descriptor: Chains: I, Chains: J, Histone H2A type 1-B/E, ...
Authors:Ariyoshi, M, Jiang, H, Makino, F, Fukagawa, T.
Deposit date:2022-06-22
Release date:2022-07-13
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:The cryo-EM structure of the CENP-A nucleosome in complex with ggKNL2.
Biorxiv, 2022
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
7LJC
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BU of 7ljc by Molmil
Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein
Descriptor: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ...
Authors:Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
Deposit date:2021-01-28
Release date:2021-03-03
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
7LJD
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BU of 7ljd by Molmil
Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein
Descriptor: 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ...
Authors:Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E.
Deposit date:2021-01-28
Release date:2021-03-03
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor.
Cell Res., 31, 2021
8EFQ
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BU of 8efq by Molmil
DAMGO-bound mu-opioid receptor-Gi complex
Descriptor: DAMGO, ETHANOLAMINE, 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:2023-11-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular recognition of morphine and fentanyl by the human mu-opioid receptor.
Cell, 185, 2022
8EFL
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BU of 8efl by Molmil
SR17018-bound mu-opioid receptor-Gi complex
Descriptor: 5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one, 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
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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