3TG2
| Crystal structure of the ISC domain of VibB in complex with isochorismate | Descriptor: | (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid, TRIETHYLENE GLYCOL, Vibriobactin-specific isochorismatase | Authors: | Liu, S, Zhang, C, Niu, B, Li, N, Liu, X, Liu, M, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-17 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.101 Å) | Cite: | Structural insight into the ISC domain of VibB from Vibrio cholerae at atomic resolution: a snapshot just before the enzymatic reaction Acta Crystallogr.,Sect.D, 68, 2012
|
|
5GK9
| Crystal structure of human HBO1 in complex with BRPF2 | Descriptor: | ACETYL COENZYME *A, BRD1 protein, Histone acetyltransferase KAT7, ... | Authors: | Tao, Y, Zhu, J, Xu, S, Ding, J. | Deposit date: | 2016-07-04 | Release date: | 2017-03-29 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and mechanistic insights into regulation of HBO1 histone acetyltransferase activity by BRPF2. Nucleic Acids Res., 45, 2017
|
|
4F5W
| Crystal structure of ligand free human STING CTD | Descriptor: | CALCIUM ION, Transmembrane protein 173 | Authors: | Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S. | Deposit date: | 2012-05-13 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.201 Å) | Cite: | Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP Nat.Struct.Mol.Biol., 19, 2012
|
|
4F5Y
| Crystal structure of human STING CTD complex with C-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, Transmembrane protein 173 | Authors: | Gu, L, Shang, G, Zhu, D, Li, N, Zhang, J, Zhu, C, Lu, D, Liu, C, Yu, Q, Zhao, Y, Xu, S. | Deposit date: | 2012-05-13 | Release date: | 2012-06-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | Crystal structures of STING protein reveal basis for recognition of cyclic di-GMP Nat.Struct.Mol.Biol., 19, 2012
|
|
3TGV
| Crystal structure of HutZ,the heme storsge protein from Vibrio cholerae | Descriptor: | BENZOIC ACID, Heme-binding protein HutZ | Authors: | Liu, X, Gong, J, Wang, Z, Du, Q, Wei, T, Zhu, D, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-08-17 | Release date: | 2012-08-22 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Crystal structure of HutZ,the heme storsge protein from Vibrio cholerae To be Published
|
|
3TKL
| Crystal structure of the GTP-bound Rab1a in complex with the coiled-coil domain of LidA from Legionella pneumophila | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | Authors: | Cheng, W, Yin, K, Lu, D, Li, B, Zhu, D, Chen, Y, Zhang, H, Xu, S, Chai, J, Gu, L. | Deposit date: | 2011-08-27 | Release date: | 2012-06-27 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.183 Å) | Cite: | Structural insights into a unique Legionella pneumophila effector LidA recognizing both GDP and GTP bound Rab1 in their active state Plos Pathog., 8, 2012
|
|
3TLQ
| Crystal structure of EAL-like domain protein YdiV | Descriptor: | GLYCEROL, PHOSPHATE ION, Regulatory protein YdiV | Authors: | Li, B, Li, N, Wang, F, Guo, L, Liu, C, Zhu, D, Xu, S, Gu, L. | Deposit date: | 2011-08-30 | Release date: | 2012-09-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Structural insight of a concentration-dependent mechanism by which YdiV inhibits Escherichia coli flagellum biogenesis and motility Nucleic Acids Res., 40, 2012
|
|
5VRA
| 2.35-Angstrom In situ Mylar structure of human A2A adenosine receptor at 100 K | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | Authors: | Broecker, J, Morizumi, T, Ou, W.-L, Klingel, V, Kuo, A, Kissick, D.J, Ishchenko, A, Lee, M.-Y, Xu, S, Makarov, O, Cherezov, V, Ogata, C.M, Ernst, O.P. | Deposit date: | 2017-05-10 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | High-throughput in situ X-ray screening of and data collection from protein crystals at room temperature and under cryogenic conditions. Nat Protoc, 13, 2018
|
|
5VQF
| Crystal Structure of pro-TGF-beta 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | Deposit date: | 2017-05-08 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1. J. Biol. Chem., 293, 2018
|
|
3SFV
| Crystal structure of the GDP-bound Rab1a S25N mutant in complex with the coiled-coil domain of LidA from Legionella pneumophila | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, LidA protein, substrate of the Dot/Icm system, ... | Authors: | Yin, K, Lu, D, Zhu, D, Zhang, H, Li, B, Xu, S, Gu, L. | Deposit date: | 2011-06-14 | Release date: | 2012-04-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural Insights into a Unique Legionella pneumophila Effector LidA Recognizing Both GDP and GTP Bound Rab1 in Their Active State Plos Pathog., 8, 2012
|
|
5VQP
| Crystal structure of human pro-TGF-beta1 | Descriptor: | Transforming growth factor beta-1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhao, B, Xu, S, Dong, X, Lu, C, Springer, T.A. | Deposit date: | 2017-05-09 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Prodomain-growth factor swapping in the structure of pro-TGF-beta 1. J. Biol. Chem., 293, 2018
|
|
4HKF
| Crystal structure of Danio rerio MEC-17 catalytic domain in complex with acetyl-CoA | Descriptor: | ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase, SULFATE ION | Authors: | Li, W, Zhong, C, Sun, B, Xu, S, Zhang, T, Ding, J. | Deposit date: | 2012-10-15 | Release date: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Molecular basis of the acetyltransferase activity of MEC-17 towards alpha- tubulin Cell Res., 22, 2012
|
|
3O72
| Crystal structure of EfeB in complex with heme | Descriptor: | OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, Redox component of a tripartite ferrous iron transporter | Authors: | Liu, X, Du, Q, Wang, Z, Zhu, D, Huang, Y, Li, N, Xu, S, Gu, L. | Deposit date: | 2010-07-30 | Release date: | 2011-03-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure and biochemical features of EfeB/YcdB from Escherichia coli O157: ASP235 plays divergent roles in different enzyme-catalyzed processes J.Biol.Chem., 286, 2011
|
|
3REE
| Crystal structure of mitoNEET | Descriptor: | CDGSH iron-sulfur domain-containing protein 1, FE2/S2 (INORGANIC) CLUSTER | Authors: | Funk, M.O, Arif, W, Xu, S, Mueser, T.C. | Deposit date: | 2011-04-04 | Release date: | 2011-04-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Complexes of the Outer Mitochondrial Membrane Protein MitoNEET with Resveratrol-3-Sulfate. Biochemistry, 50, 2011
|
|
3R5T
| Crystal structure of holo-ViuP | Descriptor: | (4S,5R)-N-{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-met hyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Li, N, Zhang, C, Li, B, Liu, X, Huang, Y, Xu, S, Gu, L. | Deposit date: | 2011-03-19 | Release date: | 2012-02-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Unique iron coordination in iron-chelating molecule vibriobactin helps Vibrio cholerae evade mammalian siderocalin-mediated immune response. J.Biol.Chem., 287, 2012
|
|
7DXP
| Influenza H5N1 nucleoprotein in complex with nucleotides | Descriptor: | 1,2-ETHANEDIOL, Nucleoprotein, RNA (5'-R(P*(OMU)P*(OMU)P*(OMU)P*(OMU))-3') | Authors: | Tang, Y.S, Xu, S, Chen, Y.W, Wang, J.H, Shaw, P.C. | Deposit date: | 2021-01-19 | Release date: | 2021-04-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of influenza nucleoprotein complexed with nucleic acid provide insights into the mechanism of RNA interaction. Nucleic Acids Res., 49, 2021
|
|
7DKG
| Influenza H5N1 nucleoprotein (truncated) in complex with nucleotides | Descriptor: | Nucleoprotein, RNA (5'-R(P*(OMU)P*(OMU)P*(OMU))-3') | Authors: | Tang, Y.S, Xu, S, Chen, Y.W, Wang, J.H, Shaw, P.C. | Deposit date: | 2020-11-24 | Release date: | 2021-04-14 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of influenza nucleoprotein complexed with nucleic acid provide insights into the mechanism of RNA interaction. Nucleic Acids Res., 49, 2021
|
|
7EO6
| X-ray structure analysis of xylanase | Descriptor: | Endo-1,4-beta-xylanase, IODIDE ION | Authors: | Wan, Q, Yi, Y, Xu, S. | Deposit date: | 2021-04-21 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization and structural analysis of a thermophilic GH11 xylanase from compost metatranscriptome. Appl.Microbiol.Biotechnol., 105, 2021
|
|
7EO3
| X-ray structure analysis of beita-1,3-glucanase | Descriptor: | 1,3-beta-glucanase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION | Authors: | Wan, Q, Feng, J, Xu, S. | Deposit date: | 2021-04-21 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.141 Å) | Cite: | Identification and structural analysis of a thermophilic beta-1,3-glucanase from compost Bioresour Bioprocess, 8, 2021
|
|
6WNH
| Menin bound to inhibitor M-808 | Descriptor: | Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2020-04-22 | Release date: | 2020-05-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity. J.Med.Chem., 63, 2020
|
|
8RZ3
| Structures of Se- glycosyltransferase SenB from Variovorax paradoxus | Descriptor: | TIGR04348 family glycosyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Authors: | Ma, Y.Y, Gao, Y, Xu, S.H. | Deposit date: | 2024-02-12 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structures of SenB and SenA enzymes from Variovorax paradoxus provide insights into carbon-selenium bond formation in selenoneine biosynthesis. Heliyon, 10, 2024
|
|
8RYZ
| Structures of selenoneine synthase SenA from Variovorax paradoxus | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, IMIDAZOLE, ... | Authors: | Ma, Y.Y, Gao, Y, Xu, S.H. | Deposit date: | 2024-02-11 | Release date: | 2024-09-11 | Last modified: | 2024-09-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structures of SenB and SenA enzymes from Variovorax paradoxus provide insights into carbon-selenium bond formation in selenoneine biosynthesis. Heliyon, 10, 2024
|
|
8TQP
| HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | Descriptor: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-{(1R)-2-(3,5-difluorophenyl)-1-[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]ethyl}acetamide, Gag polyprotein | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | Deposit date: | 2023-08-08 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
|
|
8TOV
| HIV-CA Disulfide linked Hexamer bound to Quinazolin-4-one Scaffold inhibitor | Descriptor: | 2-[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]-N-[(1R)-2-(3,5-difluorophenyl)-1-{3-[4-(morpholine-4-sulfonyl)phenyl]-4-oxo-3,4-dihydroquinazolin-2-yl}ethyl]acetamide, Matrix protein p17 | Authors: | Goldstone, D.C, Barnett, M.J, Taka, J.R.H. | Deposit date: | 2023-08-04 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery, Crystallographic Studies, and Mechanistic Investigations of Novel Phenylalanine Derivatives Bearing a Quinazolin-4-one Scaffold as Potent HIV Capsid Modulators. J.Med.Chem., 66, 2023
|
|
6B41
| Menin bound to M-525 | Descriptor: | Menin, methyl {(1S,2R)-2-[(S)-cyano[1-({1-[4-({1-[4-(dimethylamino)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl](3-fluorophenyl)methyl]cyclopentyl}carbamate, praseodymium triacetate | Authors: | Stuckey, J.A. | Deposit date: | 2017-09-25 | Release date: | 2018-01-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Design of the First-in-Class, Highly Potent Irreversible Inhibitor Targeting the Menin-MLL Protein-Protein Interaction. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|