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PDB: 160 results

6LXK
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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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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
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
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
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
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
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
3D04
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BU of 3d04 by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with sakuranetin
Descriptor: (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one, (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, ...
Authors:Zhang, L, Kong, Y, Wu, D, Shen, X, Jiang, H.
Deposit date:2008-05-01
Release date:2008-12-09
Last modified:2023-11-01
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
7CZ5
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BU of 7cz5 by Molmil
Cryo-EM structure of the human growth hormone-releasing hormone receptor-Gs protein complex
Descriptor: CHOLESTEROL, Growth hormone-releasing hormone receptor,growth hormone-releasing hormone receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhou, F, Zhang, H, Cong, Z, Zhao, L, Zhou, Q, Mao, C, Cheng, X, Shen, D, Cai, X, Ma, C, Wang, Y, Dai, A, Zhou, Y, Sun, W, Zhao, F, Zhao, S, Jiang, H, Jiang, Y, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2020-09-07
Release date:2020-11-18
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural basis for activation of the growth hormone-releasing hormone receptor.
Nat Commun, 11, 2020
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
2GLP
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BU of 2glp by Molmil
Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with compound 1
Descriptor: (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION, ...
Authors:Zhang, L, Liu, W, Shen, X, Jiang, H.
Deposit date:2006-04-05
Release date:2007-03-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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
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
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
8EFO
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BU of 8efo by Molmil
PZM21-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 (2.8 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
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
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
Descriptor: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
2RJH
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BU of 2rjh by Molmil
Crystal structure of biosynthetic alaine racemase in D-cycloserine-bound form from Escherichia coli
Descriptor: Alanine racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE, SULFATE ION
Authors:Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
Deposit date:2007-10-15
Release date:2008-07-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
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
6LZE
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BU of 6lze by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-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, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
Deposit date:2020-02-19
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.505 Å)
Cite:Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020

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