6A1F
| Crystal structure of human DYRK1A in complex with compound 14 | Descriptor: | 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | Baba, D, Hanzawa, H. | Deposit date: | 2018-06-07 | Release date: | 2018-10-03 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives. Bioorg. Med. Chem. Lett., 28, 2018
|
|
5ZYR
| Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii | Descriptor: | ACETATE ION, FLAVIN MONONUCLEOTIDE, p-hydroxyphenylacetate 3-hydroxylase, ... | Authors: | Oonanant, W, Phongsak, T, Sucharitakul, J, Chaiyen, P, Yuvaniyama, J. | Deposit date: | 2018-05-28 | Release date: | 2019-06-05 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.20001316 Å) | Cite: | Crystal structure of the reductase (C1) component of p-hydroxyphenylacetate 3-hydroxylase (HPAH) from Acinetobacter baumannii To Be Published
|
|
8GYD
| Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16 | Descriptor: | (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme | Authors: | Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X. | Deposit date: | 2022-09-22 | Release date: | 2023-08-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library. J.Med.Chem., 66, 2023
|
|
6A1U
| Charcot-Leyden crystal protein/Galectin-10 variant E33D | Descriptor: | Galectin-10 | Authors: | Su, J. | Deposit date: | 2018-06-08 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Identification of key amino acid residues determining ligand binding specificity, homodimerization and cellular distribution of human galectin-10 Glycobiology, 29, 2019
|
|
6A21
| Mandelate oxidase mutant-Y128F with the N5-malonyl-FMN adduct | Descriptor: | 3-[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2S,3S,4R)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridin-5-yl]-3-oxidanylidene-propanoic acid, 4-hydroxymandelate oxidase | Authors: | Li, T.L, Lin, K.H. | Deposit date: | 2018-06-08 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level. Acta Crystallogr D Struct Biol, 75, 2019
|
|
5ZZU
| |
6A07
| |
6A0Q
| The crystal structure of Lpg2622_E64 complex | Descriptor: | Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE | Authors: | Gong, X, Ge, H. | Deposit date: | 2018-06-06 | Release date: | 2018-09-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila FEBS Lett., 592, 2018
|
|
8HF0
| DmDcr-2/R2D2/LoqsPD with 50bp-dsRNA in Dimer state | Descriptor: | Dicer-2, isoform A, LD06392p, ... | Authors: | Su, S, Wang, J, Wang, H.W, Ma, J. | Deposit date: | 2022-11-09 | Release date: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Structural mechanism of R2D2 and Loqs-PD synergistic modulation on DmDcr-2 oligomers. Nat Commun, 14, 2023
|
|
6A37
| |
6A3L
| Crystal structure of cytochrome c' from Shewanella violacea DSS12 | Descriptor: | Cytochrome c, HEME C | Authors: | Suka, A, Oki, H, Kato, Y, Kawahara, K, Ohkubo, T, Maruno, T, Kobayashi, Y, Fujii, S, Wakai, S, Sambongi, Y. | Deposit date: | 2018-06-15 | Release date: | 2019-06-12 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Stability of cytochromes c' from psychrophilic and piezophilic Shewanella species: implications for complex multiple adaptation to low temperature and high hydrostatic pressure. Extremophiles, 23, 2019
|
|
5HOP
| 1.65 Angstrom resolution crystal structure of lmo0182 (residues 1-245) from Listeria monocytogenes EGD-e | Descriptor: | ACETATE ION, Lmo0182 protein | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-19 | Release date: | 2017-02-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
|
|
4UO1
| Structure of the A_Equine_Richmond_07 H3 haemagglutinin in complex with 3SLN | 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
6A12
| |
4UO5
| Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin in complex with 3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-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, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
6A1A
| Mandelate oxidase mutant-Y128F with 4-hydroxymandelic acid | Descriptor: | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE | Authors: | Li, T.L, Lin, K.H. | Deposit date: | 2018-06-07 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6A1N
| Mandelate oxidase mutant-Y128F with (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid | Descriptor: | (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid, 4-hydroxymandelate oxidase, FLAVIN MONONUCLEOTIDE, ... | Authors: | Li, T.L, Lin, K.H. | Deposit date: | 2018-06-07 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.421 Å) | Cite: | Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity. Protein Sci., 29, 2020
|
|
4UO9
| Structure of the A_Canine_Colorado_17864_06 H3 haemagglutinin Ser30Thr mutant | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HA1, ... | Authors: | Vachieri, S.G, Collins, P.J, Haire, L.F, Ogrodowicz, R.W, Martin, S.R, Walker, P.A, Xiong, X, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2014-05-31 | Release date: | 2014-07-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Recent Evolution of Equine Influenza and the Origin of Canine Influenza. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
6A1W
| Mandelate oxidase with the enoyl FMN epoxide adduct | Descriptor: | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol, 4-hydroxymandelate oxidase, MAGNESIUM ION | Authors: | Li, T.L, Lin, K.H. | Deposit date: | 2018-06-08 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and chemical trapping of flavin-oxide intermediates reveals substrate-directed reaction multiplicity. Protein Sci., 29, 2020
|
|
5ZRI
| M. smegmatis antimutator protein MutT2 in complex with 5m-dCMP | Descriptor: | MAGNESIUM ION, Putative mutator protein MutT2/NUDIX hydrolase, [(2R,3S,5R)-5-(4-azanyl-5-methyl-pyrimidin-1-ium-1-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Authors: | Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M. | Deposit date: | 2018-04-24 | Release date: | 2019-04-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2. J.Struct.Biol., 204, 2018
|
|
5ZRR
| Crystal structure of PET-degrading cutinase Cut190 S176A/S226P/R228S mutant in monoethyl succinate bound state | Descriptor: | 4-ethoxy-4-oxobutanoic acid, Alpha/beta hydrolase family protein, GLYCEROL, ... | Authors: | Numoto, N, Kamiya, N, Bekker, G.J, Yamagami, Y, Inaba, S, Ishii, K, Uchiyama, S, Kawai, F, Ito, N, Oda, M. | Deposit date: | 2018-04-25 | Release date: | 2018-09-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Structural Dynamics of the PET-Degrading Cutinase-like Enzyme from Saccharomonospora viridis AHK190 in Substrate-Bound States Elucidates the Ca2+-Driven Catalytic Cycle. Biochemistry, 57, 2018
|
|
6A68
| the crystal structure of rat calcium-dependent activator protein for secretion (CAPS) DAMH domain | Descriptor: | Calcium-dependent secretion activator 1, POTASSIUM ION | Authors: | Zhou, H, Wei, Z.Q, Yao, D.Q, Zhang, R.G, Ma, C. | Deposit date: | 2018-06-26 | Release date: | 2019-03-13 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (2.901 Å) | Cite: | Structural and Functional Analysis of the CAPS SNARE-Binding Domain Required for SNARE Complex Formation and Exocytosis. Cell Rep, 26, 2019
|
|
5HS5
| |
6A6B
| cryo-em structure of alpha-synuclein fiber | Descriptor: | Alpha-synuclein | Authors: | Li, Y.W, Zhao, C.Y, Luo, F, Liu, Z, Gui, X, Luo, Z, Zhang, X, Li, D, Liu, C, Li, X. | Deposit date: | 2018-06-27 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.07 Å) | Cite: | Amyloid fibril structure of alpha-synuclein determined by cryo-electron microscopy Cell Res., 28, 2018
|
|
6A6G
| Crystal structure of thermostable FiSufS-SufU complex from thermophilic Fervidobacterium Islandicum AW-1 | Descriptor: | Cysteine desulfurase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dhanasingh, I, Jin, H.S, Lee, D.W, Lee, S.H. | Deposit date: | 2018-06-27 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The sulfur formation system mediating extracellular cysteine-cystine recycling in Fervidobacterium islandicum AW-1 is associated with keratin degradation. Microb Biotechnol, 2020
|
|