8HKV
 
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8HL2
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8HKU
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8HL3
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5SZC
 | | Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with monomethylated K4 and acetylated K14 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ... | | Authors: | Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.193 Å) | | Cite: | Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
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5SZB
 | | Structure of human Dpf3 double-PHD domain bound to histone H3 tail peptide with acetylated K14 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Histone H3 tail peptide, ZINC ION, ... | | Authors: | Singh, N, Local, A, Shiau, A, Ren, B, Corbett, K.D. | | Deposit date: | 2016-08-13 | | Release date: | 2017-08-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Identification of H3K4me1-associated proteins at mammalian enhancers.
Nat. Genet., 50, 2018
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2XTI
 | | Asparaginyl-tRNA synthetase from Brugia malayi complexed with ATP:Mg and L-Asp-beta-NOH adenylate:PPi:Mg | | Descriptor: | 5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine, ADENOSINE-5'-TRIPHOSPHATE, ASPARAGINYL-TRNA SYNTHETASE, ... | | Authors: | Crepin, T, Haertlein, M, Kron, M, Cusack, S. | | Deposit date: | 2010-10-10 | | Release date: | 2010-12-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Hybrid Structural Model of the Complete Brugia Malayi Cytoplasmic Asparaginyl-tRNA Synthetase.
J.Mol.Biol., 405, 2011
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5Q0E
 | | FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Descriptor: | 1,2-ETHANEDIOL, Coagulation factor XI, SULFATE ION, ... | | Authors: | Sheriff, S. | | Deposit date: | 2017-05-01 | | Release date: | 2017-07-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency.
Bioorg. Med. Chem. Lett., 27, 2017
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7ER3
 | | Crystal structure of beta-lactoglobulin complexed with chloroquine | | Descriptor: | (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, Major allergen beta-lactoglobulin | | Authors: | Yao, Q, Ma, J, Xing, Y, Zang, J. | | Deposit date: | 2021-05-05 | | Release date: | 2022-05-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.598 Å) | | Cite: | Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells.
J.Agric.Food Chem., 69, 2021
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5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5HV1
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5HV6
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5HV3
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7KX0
 | | Crystal structure of the CD27:CD70 co-stimulatory complex | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CD27 antigen, ... | | Authors: | Maben, Z, Liu, W, Mosyak, L, Chaparro-Riggers, J. | | Deposit date: | 2020-12-02 | | Release date: | 2021-09-08 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural delineation and phase-dependent activation of the costimulatory CD27:CD70 complex.
J.Biol.Chem., 297, 2021
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8ID6
 | | Cryo-EM structure of the oleic acid bound GPR120-Gi complex | | Descriptor: | Free fatty acid receptor 4, 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: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | | Deposit date: | 2023-02-12 | | Release date: | 2023-03-15 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
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8ID9
 | | Cryo-EM structure of the eicosapentaenoic acid bound GPR120-Gi complex | | Descriptor: | 5,8,11,14,17-EICOSAPENTAENOIC ACID, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | | Deposit date: | 2023-02-12 | | Release date: | 2023-03-15 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
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8ID4
 | | Cryo-EM structure of the linoleic acid bound GPR120-Gi complex | | Descriptor: | Free fatty acid receptor 4, 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: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | | Deposit date: | 2023-02-12 | | Release date: | 2023-03-15 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
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8ID8
 | | Cryo-EM structure of the TUG891 bound GPR120-Gi complex | | Descriptor: | 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | | Deposit date: | 2023-02-12 | | Release date: | 2023-03-15 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
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8ID3
 | | Cryo-EM structure of the 9-hydroxystearic acid bound GPR120-Gi complex | | Descriptor: | 9-Hydroxyoctadecanoic acid, Free fatty acid receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Mao, C, Xiao, P, Tao, X, Qin, J, He, Q, Zhang, C, Yu, X, Zhang, Y, Sun, J. | | Deposit date: | 2023-02-12 | | Release date: | 2023-03-15 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Unsaturated bond recognition leads to biased signal in a fatty acid receptor.
Science, 380, 2023
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8K7O
 | | De novo design protein -T03 | | Descriptor: | De novo design protein | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-07-27 | | Release date: | 2024-07-31 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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8K8I
 | | De novo design protein -N14 | | Descriptor: | De novo design protein -N14 | | Authors: | Wang, S, Liu, Y. | | Deposit date: | 2023-07-30 | | Release date: | 2024-07-31 | | Last modified: | 2025-05-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | De novo protein design with a denoising diffusion network independent of pretrained structure prediction models.
Nat.Methods, 21, 2024
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5T97
 | | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | | Descriptor: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | | Authors: | Kirby, C.A, Baird, J. | | Deposit date: | 2016-09-09 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer.
J. Med. Chem., 60, 2017
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6MNL
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