8DP1
| Cryo-EM structure of HIV-1 Env(BG505.T332N SOSIP) in complex with DH1030.1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1030.1 Fab Heavy chain, ... | Authors: | Gobeil, S, Acharya, P. | Deposit date: | 2022-07-14 | Release date: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Shared recognition mechanism for HIV-1 envelope-reactive V3 glycan broadly neutralizing B cell lineage maturation in humans and macaques To Be Published
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6P24
| Escherichia coli tRNA synthetase | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-05-20 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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4RQQ
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8DOW
| Cryo-EM structure of HIV-1 Env(CH848 10.17 DS.SOSIP_DT) in complex with DH1030.1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1030.1 Fab Heavy chain, ... | Authors: | Gobeil, S, Acharya, P. | Deposit date: | 2022-07-14 | Release date: | 2023-07-19 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Shared recognition mechanism for HIV-1 envelope-reactive V3 glycan broadly neutralizing B cell lineage maturation in humans and macaques To Be Published
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8DTK
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5NHU
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2Q17
| Formylglycine Generating Enzyme from Streptomyces coelicolor | Descriptor: | CALCIUM ION, formylglycine generating enzyme | Authors: | Carlson, B.L, Ballister, E.R, Skordalakes, E, King, D.S, Breidenbach, M.A, Gilmore, S.A, Berger, J.M, Bertozzi, C.R. | Deposit date: | 2007-05-23 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Function and structure of a prokaryotic formylglycine-generating enzyme. J.Biol.Chem., 283, 2008
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7UAK
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6OZ5
| Escherichia coli tRNA synthetase in complex with compound 3 | Descriptor: | 1,2-ETHANEDIOL, 2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-05-15 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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6P8T
| Acinetobacter baumannii tRNA synthetase in complex with compound 1 | Descriptor: | MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-06-07 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
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5NFA
| Structure of Galectin-3 CRD in complex with compound 3 | Descriptor: | 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine, Galectin-3 | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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6PEO
| Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril | Descriptor: | Alpha-synuclein | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | Deposit date: | 2019-06-20 | Release date: | 2019-11-27 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs. Nat.Struct.Mol.Biol., 26, 2019
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5NF9
| Structure of Galectin-3 CRD in complex with compound 2 | Descriptor: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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5NFB
| Structure of Galectin-3 CRD in complex with compound 4 | Descriptor: | Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | Authors: | Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C. | Deposit date: | 2017-03-13 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3. Biochem. Biophys. Res. Commun., 489, 2017
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3G59
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3G6K
| Crystal Structure of Candida glabrata FMN Adenylyltransferase in complex with FAD and Inorganic Pyrophosphate | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FMN adenylyltransferase, MAGNESIUM ION, ... | Authors: | Huerta, C, Machius, M, Zhang, H. | Deposit date: | 2009-02-06 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure and mechanism of a eukaryotic FMN adenylyltransferase. J.Mol.Biol., 389, 2009
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3FWK
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4NTI
| Crystal structure of D60N mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.9 Angstrom resolution | Descriptor: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, DI(HYDROXYETHYL)ETHER, accelerated-cell-death 11 | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | Deposit date: | 2013-12-02 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.899 Å) | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels. Cell Rep, 6, 2014
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4NTG
| Crystal structure of D60A mutant of Arabidopsis ACD11 (accelerated-cell-death 11) complexed with C12 ceramide-1-phosphate (d18:1/12:0) at 2.55 Angstrom resolution | Descriptor: | (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, accelerated-cell-death 11 | Authors: | Simanshu, D.K, Brown, R.E, Patel, D.J. | Deposit date: | 2013-12-02 | Release date: | 2014-02-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5505 Å) | Cite: | Arabidopsis Accelerated Cell Death 11, ACD11, Is a Ceramide-1-Phosphate Transfer Protein and Intermediary Regulator of Phytoceramide Levels. Cell Rep, 6, 2014
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6GVH
| Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-4-chloro-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-6-ylamine | Descriptor: | 5-(6-azanyl-4-chloranyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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6GVI
| Crystal structure of PI3K alpha in complex with 3-(2-Amino-benzooxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine | Descriptor: | 3-(2-azanyl-1,3-benzoxazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-d]pyrimidine-4,6-diamine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Ouvry, G, Aurelly, M, Bonnary, L, Borde, E, Bouix-Peter, C, Chantalat, L, Clary, L, Defoin-Platel, C, Deret, S, Forissier, M, Harris, C.S, Isabet, T, Lamy, L, Luzy, A.P, Pascau, J, Soulet, C, Taddei, A, Taquet, N, Tomas, L, Thoreau, E, Varvier, E, Vial, E, Hennequin, L.F. | Deposit date: | 2018-06-21 | Release date: | 2019-10-02 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Impact of Minor Structural Modifications on Properties of a Series of mTOR Inhibitors. Acs Med.Chem.Lett., 10, 2019
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4K3G
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8ERP
| Structure of Xenopus cholinephosphotransferase1 in complex with CDP-choline | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, Cholinephosphotransferase 1, MAGNESIUM ION, ... | Authors: | Wang, L, Zhou, M. | Deposit date: | 2022-10-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis. Nat Commun, 14, 2023
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8ERO
| Structure of Xenopus cholinephosphotransferase1 in complex with CDP | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, CYTIDINE-5'-DIPHOSPHATE, Cholinephosphotransferase 1, ... | Authors: | Wang, L, Zhou, M. | Deposit date: | 2022-10-12 | Release date: | 2023-04-26 | Last modified: | 2023-11-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of a eukaryotic cholinephosphotransferase-1 reveals mechanisms of substrate recognition and catalysis. Nat Commun, 14, 2023
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8DJM
| HMGCR-UBIAD1 Complex State 1 | Descriptor: | 3-hydroxy-3-methylglutaryl-coenzyme A reductase, CHOLESTEROL HEMISUCCINATE, Digitonin, ... | Authors: | Chen, H, Qi, X, Li, X. | Deposit date: | 2022-07-01 | Release date: | 2022-08-03 | Method: | ELECTRON MICROSCOPY (3.23 Å) | Cite: | Regulated degradation of HMG CoA reductase requires conformational changes in sterol-sensing domain. Nat Commun, 13, 2022
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