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PDB: 160 results

5Y1Y
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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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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
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
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
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
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
3R29
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BU of 3r29 by Molmil
Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2
Descriptor: Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
3R2A
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BU of 3r2a by Molmil
Crystal structure of RXRalpha ligand-binding domain complexed with corepressor SMRT2 and antagonist rhein
Descriptor: 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Nuclear receptor corepressor 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Chen, L, Chen, J, Jiang, H, Shen, X.
Deposit date:2011-03-14
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for retinoic x receptor repression on the tetramer.
J.Biol.Chem., 286, 2011
2XI4
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BU of 2xi4 by Molmil
Torpedo californica Acetylcholinesterase in Complex with Aflatoxin B1 (Orthorhombic Space Group)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, AFLATOXIN B1, ...
Authors:Sanson, B, Colletier, J.P, Xu, Y, Lang, P.T, Jiang, H, Silman, I, Sussman, J.L, Weik, M.
Deposit date:2010-06-28
Release date:2011-03-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Backdoor Opening Mechanism in Acetylcholinesterase Based on X-Ray Crystallography and Molecular Dynamics Simulations.
Protein Sci., 20, 2011
4XS3
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BU of 4xs3 by Molmil
Crystal structure of a metabolic reductase with (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: (E)-1-benzyl-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2016-07-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.291 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
4XRX
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BU of 4xrx by Molmil
Crystal structure of a metabolic reductase with (E)-5-((1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)pyridin-2(1H)-one
Descriptor: 5-[(E)-(1-methyl-5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]pyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zheng, B, Wu, F, Jiang, H, Kogiso, M, Yao, Y, Zhou, C, Li, X, Song, Y.
Deposit date:2015-01-21
Release date:2015-12-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Inhibition of Cancer-Associated Mutant Isocitrate Dehydrogenases by 2-Thiohydantoin Compounds.
J.Med.Chem., 58, 2015
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
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
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
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:2024-04-17
Method:X-RAY DIFFRACTION (2.15 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
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
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
Descriptor: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-10-22
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
3NSP
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BU of 3nsp by Molmil
Crystal structure of tetrameric RXRalpha-LBD
Descriptor: Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011
3NSQ
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BU of 3nsq by Molmil
Crystal structure of tetrameric RXRalpha-LBD complexed with antagonist danthron
Descriptor: 1,8-dihydroxyanthracene-9,10-dione, Retinoid X receptor, alpha
Authors:Zhang, H, Hu, T, Li, L, Zhou, R, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-07-02
Release date:2010-11-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Danthron functions as a retinoic X receptor antagonist by stabilizing tetramers of the receptor.
J.Biol.Chem., 286, 2011

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