4RDK
| Crystal structure of Norovirus Boxer P domain in complex with Lewis b tetrasaccharide | Descriptor: | Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-alpha-D-glucopyranose | Authors: | Hao, N, Chen, Y, Xia, M, Liu, W, Tan, M, Jiang, X, Li, X. | Deposit date: | 2014-09-19 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.629 Å) | Cite: | Crystal structures of GI.8 Boxer virus P dimers in complex with HBGAs, a novel evolutionary path selected by the Lewis epitope. Protein Cell, 6, 2015
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4RWA
| Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-01 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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4RWD
| XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ... | Authors: | Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | Deposit date: | 2014-12-02 | Release date: | 2015-01-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for bifunctional peptide recognition at human delta-opioid receptor. Nat.Struct.Mol.Biol., 22, 2015
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7XP7
| Crystal Structure of the Flavoprotein ColB1 Catalyzing Assembly Line-Tethered Cysteine Dehydrogenation | Descriptor: | Cyclohexanecarboxyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Ma, X.Y, Tang, Z.J, Liu, W, Ma, M. | Deposit date: | 2022-05-03 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-Based Mechanistic Insights into ColB1, a Flavoprotein Functioning in-trans in the 2,2'-Bipyridine Assembly Line for Cysteine Dehydrogenation. Acs Chem.Biol., 18, 2023
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7EL7
| NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | Descriptor: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | Authors: | Liu, L.-Y, Liu, W, Mao, Z.-W. | Deposit date: | 2021-04-08 | Release date: | 2021-12-15 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid. Angew.Chem.Int.Ed.Engl., 60, 2021
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7CMA
| Structure of A151R from African swine fever virus Georgia | Descriptor: | A151R, ZINC ION | Authors: | Niu, D, Liu, K, Huang, J, Chen, C, Liu, W, Guo, R. | Deposit date: | 2020-07-26 | Release date: | 2021-06-02 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structure basis of non-structural protein pA151R from African Swine Fever Virus. Biochem.Biophys.Res.Commun., 532, 2020
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6IME
| Rv2361c complex with substrate analogues | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, CARBONATE ION, ... | Authors: | Ko, T.-P, Guo, R.-T, Chen, C.-C, Liu, W. | Deposit date: | 2018-10-22 | Release date: | 2019-09-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Substrate-analogue complex structure of Mycobacterium tuberculosis decaprenyl diphosphate synthase. Acta Crystallogr.,Sect.F, 75, 2019
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6J6V
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6J6W
| Mutant K23N of heat shock factor 4-DBD | Descriptor: | Heat shock factor protein 4, NITRATE ION, SODIUM ION | Authors: | Xiao, Z.Y, Cui, L.W, Wang, S, Liu, W. | Deposit date: | 2019-01-16 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.693 Å) | Cite: | Structure of the mutant K23N of heat shock factor 4-DBD at 1.69 Angstroms resolution. To Be Published
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6JCN
| Yeast dehydrodolichyl diphosphate synthase complex subunit NUS1 | Descriptor: | Dehydrodolichyl diphosphate synthase complex subunit NUS1, SULFATE ION | Authors: | Ko, T.-P, Ma, J, Liu, W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2019-01-29 | Release date: | 2019-06-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Structural insights to heterodimeric cis-prenyltransferases through yeast dehydrodolichyl diphosphate synthase subunit Nus1. Biochem.Biophys.Res.Commun., 515, 2019
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7X3O
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 To Be Published
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6K28
| Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia in complex with TZE | Descriptor: | 2-(4-METHYL-THIAZOL-5-YL)-ETHANOL, Hydroxyethylthiazole kinase, MAGNESIUM ION | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-05-13 | Release date: | 2019-07-10 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6JYY
| Crystal structure of the 5-(Hydroxyethyl)-methylthiazole Kinase ThiM from Klebsiella pneumonia | Descriptor: | Hydroxyethylthiazole kinase | Authors: | Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-04-29 | Release date: | 2019-06-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insight of the 5-(Hydroxyethyl)-methylthiazole kinase ThiM involving vitamin B1 biosynthetic pathway from the Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 518, 2019
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6K2Q
| Aeromonas hydrophila MtaN-2 complexed with adenine | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | Authors: | Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y. | Deposit date: | 2019-05-15 | Release date: | 2019-05-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Aeromonas hydrophila Cytoplasmic 5'-Methylthioadenosine/S-Adenosylhomocysteine Nucleosidase. Biochemistry, 58, 2019
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6KG7
| Cryo-EM Structure of the Mammalian Tactile Channel Piezo2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Piezo-type mechanosensitive ion channel component 2 | Authors: | Wang, L, Zhou, H, Zhang, M, Liu, W, Deng, T, Zhao, Q, Li, Y, Lei, J, Li, X, Xiao, B. | Deposit date: | 2019-07-11 | Release date: | 2019-09-04 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and mechanogating of the mammalian tactile channel PIEZO2. Nature, 573, 2019
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6IF8
| Aeromonas hydrophila MtaN-2 complexed with adenine | Descriptor: | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE | Authors: | Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y. | Deposit date: | 2018-09-18 | Release date: | 2018-10-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Aeromonas hydrophila MtaN-2 complexed with adenine To Be Published
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6K2L
| Crystal structure of the Siderophore-interacting protein SipS from Aeromonas hydrophila | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Siderophore-interacting protein | Authors: | Shang, F, Lan, J, Liu, W, Xu, Y. | Deposit date: | 2019-05-14 | Release date: | 2019-06-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the Siderophore-interacting protein SIP from Aeromonas hydrophila. Biochem.Biophys.Res.Commun., 519, 2019
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7X3A
| NMR solution structure of the 1:1 complex of a pyridostatin (PDS) bound to a G-quadruplex MYT1L | Descriptor: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide, G-quadruplex DNA MYT1L | Authors: | Liu, L.-Y, Mao, Z.-W, Liu, W. | Deposit date: | 2022-02-28 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Pyridostatin and Its Derivatives Specifically Binding to G-Quadruplexes. J.Am.Chem.Soc., 144, 2022
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7X2Z
| NMR solution structure of the 1:1 complex of a pyridostatin derivative (PyPDS) bound to a G-quadruplex MYT1L | Descriptor: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide, G-quadruplex DNA MYT1L | Authors: | Liu, L.-Y, Mao, Z.-W, Liu, W. | Deposit date: | 2022-02-26 | Release date: | 2022-06-08 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis of Pyridostatin and Its Derivatives Specifically Binding to G-Quadruplexes. J.Am.Chem.Soc., 144, 2022
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7X3L
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7X3M
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7WQS
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-26 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQM
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7WQR
| Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28 | Descriptor: | Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.124 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7XS2
| Monomer structure of HtrA from Helicobacter pylori | Descriptor: | Periplasmic serine endoprotease DegP-like | Authors: | Cui, L, Liu, W. | Deposit date: | 2022-05-12 | Release date: | 2023-05-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structures and solution conformations of HtrA from Helicobacter pylori reveal pH-dependent oligomeric conversion and conformational rearrangements. Int.J.Biol.Macromol., 243, 2023
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