1ES4
 
 | | C98N mutant of streptomyces K15 DD-transpeptidase | | Descriptor: | DD-TRANSPEPTIDASE | | Authors: | Fonze, E, Charlier, P. | | Deposit date: | 2000-04-07 | | Release date: | 2000-05-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Catalytic mechanism of the Streptomyces K15 DD-transpeptidase/penicillin-binding protein probed by site-directed mutagenesis and structural analysis.
Biochemistry, 42, 2003
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8I99
 | | N-carbamoyl-D-amino-acid hydrolase mutant - M4Th3 | | Descriptor: | N-carbamoyl-D-amino-acid hydrolase | | Authors: | Hu, J.M, Ni, Y, Xu, G.C. | | Deposit date: | 2023-02-06 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Engineering the Thermostability of a d-Carbamoylase Based on Ancestral Sequence Reconstruction for the Efficient Synthesis of d-Tryptophan.
J.Agric.Food Chem., 71, 2023
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3VCL
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8IMG
 | | Human cGAS catalytic domain bound with C20 | | Descriptor: | 2-[2-hydroxy-2-oxoethyl-[3-(7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)propanoyl]amino]ethanoic acid, Cyclic GMP-AMP synthase, ZINC ION | | Authors: | Zhao, W.F, Li, J.M, Xu, Y.C. | | Deposit date: | 2023-03-06 | | Release date: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of novel cGAS inhibitors based on natural flavonoids.
Bioorg.Chem., 140, 2023
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7DNA
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2GFK
 | | Crystal structure of the zinc-beta-lactamase l1 from stenotrophomonas maltophilia (inhibitor 2) | | Descriptor: | 2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID, DI(HYDROXYETHYL)ETHER, Metallo-beta-lactamase L1, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-03-22 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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2GFJ
 | | Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1) | | Descriptor: | 1,3-DIPHENYL-1H-PYRAZOLE-4,5-DICARBOXYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ... | | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | | Deposit date: | 2006-03-22 | | Release date: | 2007-03-27 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia.
J.Mol.Biol., 375, 2008
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5HWW
 | | Crystal structure of PAS1 complexed with 1,2,4-TMB | | Descriptor: | 1,2,4-trimethylbenzene, Sensor histidine kinase TodS | | Authors: | Hwang, J, Koh, S. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
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5HO5
 | | MamB | | Descriptor: | MAGNESIUM ION, Magnetosome protein MamB | | Authors: | Zeytuni, N, Keren, N, Davidov, G, Zarivach, R. | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization.
Mol. Microbiol., 107, 2018
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5HO1
 | | MamB-CTD | | Descriptor: | Magnetosome protein MamB, ZINC ION | | Authors: | Keren, N, Zarivach, R. | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization.
Mol. Microbiol., 107, 2018
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5HOK
 | | MamB-CTD mutant - D247A | | Descriptor: | MAGNESIUM ION, Magnetosome protein MamB | | Authors: | Keren, N, Zeytuni, N, Zarivach, R. | | Deposit date: | 2016-01-19 | | Release date: | 2017-02-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The dual role of MamB in magnetosome membrane assembly and magnetite biomineralization.
Mol. Microbiol., 107, 2018
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5HWV
 | | Crystal structure of PAS1 complexed with toluene | | Descriptor: | Sensor histidine kinase TodS, TOLUENE | | Authors: | Hwang, J, Koh, S. | | Deposit date: | 2016-01-29 | | Release date: | 2016-03-02 | | Last modified: | 2017-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Molecular Insights into Toluene Sensing in the TodS/TodT Signal Transduction System.
J. Biol. Chem., 291, 2016
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5I23
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022 | | Descriptor: | 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2016-02-08 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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5I7Z
 | | Crystal structure of a Par-6 PDZ-Crumbs 3 C-terminal peptide complex | | Descriptor: | Crb-3, DI(HYDROXYETHYL)ETHER, LD29223p | | Authors: | Whitney, D.S, Peterson, F.C, Prehoda, K.E, Volkman, B.F. | | Deposit date: | 2016-02-18 | | Release date: | 2016-03-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | Binding of Crumbs to the Par-6 CRIB-PDZ Module Is Regulated by Cdc42.
Biochemistry, 55, 2016
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5I8A
 | | TrkA with (6~{R})-3-methylsulfanyl-6-phenyl-1-(1~{H}-pyrazol-3-yl)-6,7-dihydro-5~{H}-thieno[3,4-c]pyridin-4-one | | Descriptor: | (6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Su, H.P. | | Deposit date: | 2016-02-18 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Potent, selective and orally bioavailable leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Bioorg. Med. Chem. Lett., 26, 2016
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6DXL
 | | Linked amidobenzimidazole STING agonist | | Descriptor: | 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}, CALCIUM ION, Stimulator of interferon protein | | Authors: | Concha, N.O. | | Deposit date: | 2018-06-29 | | Release date: | 2018-11-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
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6DDF
 | | Mu Opioid Receptor-Gi Protein Complex | | Descriptor: | DAMGO, 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: | Koehl, A, Hu, H, Maeda, S, Manglik, A, Kobilka, B.K, Skiniotis, G, Weis, W.I. | | Deposit date: | 2018-05-10 | | Release date: | 2018-06-13 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the mu-opioid receptor-Giprotein complex.
Nature, 558, 2018
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6DVL
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6DVN
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6DXG
 | | amidobenzimidazole (ABZI) STING agonists | | Descriptor: | 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide, CALCIUM ION, Stimulator of interferon protein | | Authors: | Concha, N.O. | | Deposit date: | 2018-06-28 | | Release date: | 2018-11-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Design of amidobenzimidazole STING receptor agonists with systemic activity.
Nature, 564, 2018
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6E88
 | | Cryo-EM structure of C. elegans GDP-microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Tubulin alpha-2 chain, ... | | Authors: | Chaaban, S, Jariwala, S, Chieh-Ting, H, Redemann, S, Kollman, J, Muller-Reichert, T, Sept, D, Bui, K.H, Brouhard, G.J. | | Deposit date: | 2018-07-27 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | The Structure and Dynamics of C. elegans Tubulin Reveals the Mechanistic Basis of Microtubule Growth.
Dev. Cell, 47, 2018
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6EGA
 | | IRAK4 in complex with a type II inhibitor | | Descriptor: | 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide, COBALT (II) ION, Interleukin-1 receptor-associated kinase 4, ... | | Authors: | Wang, L, Wu, H. | | Deposit date: | 2018-08-19 | | Release date: | 2019-02-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.512 Å) | | Cite: | Conformational flexibility and inhibitor binding to unphosphorylated interleukin-1 receptor-associated kinase 4 (IRAK4).
J.Biol.Chem., 294, 2019
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6XW5
 | | Crystal structure of murine norovirus P domain in complex with Nanobody NB-5820 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Capsid protein, ... | | Authors: | Kilic, T, Sabin, C, Hansman, G. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
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6XMX
 | | Cryo-EM structure of BCL6 bound to BI-3802 | | Descriptor: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | | Authors: | Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S. | | Deposit date: | 2020-07-01 | | Release date: | 2020-11-25 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
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6XW7
 | | Crystal structure of murine norovirus P domain in complex with Nanobody NB-5829 and glycochenodeoxycholate (GCDCA) | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, GLYCOCHENODEOXYCHOLIC ACID, ... | | Authors: | Kilic, T, Sabin, C, Hansman, G. | | Deposit date: | 2020-01-23 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Nanobody-Mediated Neutralization Reveals an Achilles Heel for Norovirus.
J.Virol., 94, 2020
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