4CDU
 
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP3 | | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, CHLORIDE ION, SODIUM ION, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-06 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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1VI7
 | | Crystal structure of an hypothetical protein | | Descriptor: | Hypothetical protein yigZ | | Authors: | Structural GenomiX | | Deposit date: | 2003-12-01 | | Release date: | 2003-12-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of YIGZ, a conserved hypothetical protein from Escherichia coli k12 with a novel fold
Proteins, 55, 2004
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4CDQ
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-05 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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4CDX
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP12 | | Descriptor: | 1-(5-((3'-METHYL-[1,1'-BIPHENYL]-4-YL)OXY)PENTYL)-3-(, SODIUM ION, VP1, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-07 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
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4CDW
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP4 | | Descriptor: | 1-[(3S)-5-(4-iodanylphenoxy)-3-methyl-pentyl]-3-pyridin-4-yl-imidazolidin-2-one, SODIUM ION, VP1, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-06 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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4CEW
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor ALD | | Descriptor: | 4-[3-[(3s)-5-[4-[(e)-ethoxyiminomethyl]phenoxy]-3-methyl-pentyl]-2-oxidanylidene-imidazolidin-1-yl]pyridine-2-carboxamide, VP1, VP2, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-12 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules.
Nat.Struct.Mol.Biol., 21, 2014
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4CEY
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor NLD | | Descriptor: | 1-(2-aminopyridin-4-yl)-3-[(3S)-5-{4-[(E)-(ethoxyimino)methyl]phenoxy}-3-methylpentyl]imidazolidin-2-one, SODIUM ION, VP1, ... | | Authors: | De Colibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-12 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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1VIO
 | | Crystal structure of pseudouridylate synthase | | Descriptor: | 1,4-BUTANEDIOL, Ribosomal small subunit pseudouridine synthase A | | Authors: | Structural GenomiX | | Deposit date: | 2003-12-01 | | Release date: | 2003-12-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structure of the pseudouridine synthase RsuA from Haemophilus influenzae.
Acta Crystallogr.,Sect.F, 61, 2005
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8I7U
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6AEI
 | | Cryo-EM structure of the receptor-activated TRPC5 ion channel | | Descriptor: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ... | | Authors: | Duan, J, Li, Z, Li, J, Zhang, J. | | Deposit date: | 2018-08-05 | | Release date: | 2019-08-07 | | Last modified: | 2019-08-14 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
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2HGH
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6KNK
 | | Crystal structure of SbnH in complex with citryl-diaminoethane | | Descriptor: | (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, (2~{S})-2-[2-[2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]ethylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioic acid, PHOSPHATE ION, ... | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6KNI
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1VJE
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6KNH
 | | Crystal structure of SbnH in complex with citrate, a PLP-dependent decarboxylase in Staphyloferrin B biothesynthesis | | Descriptor: | CITRIC ACID, PHOSPHATE ION, Probable diaminopimelate decarboxylase protein | | Authors: | Tang, J, Ju, Y, Zhou, H. | | Deposit date: | 2019-08-05 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Insights into Substrate Recognition and Activity Regulation of the Key Decarboxylase SbnH in Staphyloferrin B Biosynthesis.
J.Mol.Biol., 431, 2019
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6L2P
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6L2Q
 | | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | | Authors: | Guo, J, Chen, B, Zhou, H. | | Deposit date: | 2019-10-05 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of novel tRNA-amino acid dual-site inhibitors against threonyl-tRNA synthetase by fragment-based target hopping.
Eur.J.Med.Chem., 187, 2019
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6NXF
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7KDT
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6K9G
 | | Human LXR-beta in complex with an agonist | | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{R},3~{R})-2'-[3-[4-(hydroxymethyl)-3-methylsulfonyl-phenyl]phenyl]-2-oxidanylidene-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | | Authors: | Zhang, Z, Zhou, H. | | Deposit date: | 2019-06-15 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors.
Eur.J.Med.Chem., 194, 2020
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6LDI
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6A5W
 | | FXR-LBD with HNC143 and SRC1 | | Descriptor: | 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1 | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
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6A5Y
 | | Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC143 and 9cRA and SRC1 | | Descriptor: | (9cis)-retinoic acid, 2-[2-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-6-azaspiro[3.4]octan-6-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ... | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
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6A5X
 | | FXR-LBD with HNC180 and SRC1 | | Descriptor: | 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, Nuclear receptor coactivator 1, ... | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
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6A5Z
 | | Crystal structure of human FXR/RXR-LBD heterodimer bound to HNC180 and 9cRA and SRC1 | | Descriptor: | (9cis)-retinoic acid, 2-[(1R,5S)-9-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-3-azabicyclo[3.3.1]nonan-3-yl]-1,3-benzothiazole-6-carboxylic acid, Bile acid receptor, ... | | Authors: | Wang, N, Liu, J. | | Deposit date: | 2018-06-25 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Ligand binding and heterodimerization with retinoid X receptor alpha (RXR alpha ) induce farnesoid X receptor (FXR) conformational changes affecting coactivator binding
J. Biol. Chem., 293, 2018
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