4MK9
 
 | | Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide) | | Descriptor: | GLYCEROL, N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide, RNA-DIRECTED RNA POLYMERASE | | Authors: | Harris, S.F, Wong, A. | | Deposit date: | 2013-09-04 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of a Novel Series of Potent Non-Nucleoside Inhibitors of Hepatitis C Virus NS5B.
J.Med.Chem., 56, 2013
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5X74
 | | The crystal Structure PDE delta in complex with compound (R, R)-1g | | Descriptor: | (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
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4IA0
 | | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | | Authors: | Ren, J, Chen, T, Xu, Y. | | Deposit date: | 2012-12-05 | | Release date: | 2014-01-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.
Bioorg.Med.Chem.Lett., 23, 2013
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6HLF
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant - K32A | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | | Authors: | Hermann, J, Nowotny, P, Schneider, S, Hekmat, D, Weuster-Botz, D. | | Deposit date: | 2018-09-11 | | Release date: | 2018-12-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Rational Crystal Contact Engineering of Lactobacillus brevis Alcohol Dehydrogenase To Promote Technical Protein Crystallization
Cryst.Growth Des., 2019
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5X73
 | | The crystal Structure PDE delta in complex with R-p9 | | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
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5X72
 | | The crystal Structure PDE delta in complex with (rac)-p9 | | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | | Deposit date: | 2017-02-23 | | Release date: | 2017-10-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
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5GT5
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5H0J
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5H0K
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7WMH
 | | A novel chemical derivative(56) of THRB agonist | | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenylphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WMG
 | | A novel chemical derivative(52) of THRB agonist | | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-(4-phenoxyphenoxy)isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WLX
 | | A novel chemical derivative(53) of THRB agonist | | Descriptor: | 2-[[1-methoxy-4-oxidanyl-7-[4-(phenylmethyl)phenoxy]isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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5HJJ
 | | Crystal Structure of Pyrococcus abyssi Trm5a | | Descriptor: | tRNA (guanine(37)-N1)-methyltransferase Trm5a | | Authors: | Xie, W, Wang, C, Jia, Q. | | Deposit date: | 2016-01-13 | | Release date: | 2016-10-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of the bifunctional tRNA methyltransferase Trm5a
Sci Rep, 6, 2016
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8HOK
 | | crystal structure of UGT71AP2 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, UGT71AP2 | | Authors: | Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M. | | Deposit date: | 2022-12-10 | | Release date: | 2023-12-13 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis .
Acta Pharm Sin B, 14, 2024
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8HOJ
 | | Crystal structure of UGT71AP2 in complex with UDP | | Descriptor: | UGT71AP2, URIDINE-5'-DIPHOSPHATE | | Authors: | Wang, Z.L, He, C, Li, F, Qiao, X, Ye, M. | | Deposit date: | 2022-12-10 | | Release date: | 2023-12-13 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Functional characterization, structural basis, and protein engineering of a rare flavonoid 2'- O -glycosyltransferase from Scutellaria baicalensis .
Acta Pharm Sin B, 14, 2024
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5HJK
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4JXT
 | | CID of human RPRD1A in complex with a phosphorylated peptide from RPB1-CTD | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, Regulation of nuclear pre-mRNA domain-containing protein 1A, UNKNOWN ATOM OR ION | | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-03-28 | | Release date: | 2013-11-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
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5HJM
 | | Crystal Structure of Pyrococcus abyssi Trm5a complexed with MTA | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, ACETATE ION, HOMOSERINE LACTONE, ... | | Authors: | Xie, W, Wang, C, Jia, Q. | | Deposit date: | 2016-01-13 | | Release date: | 2016-10-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.762 Å) | | Cite: | Crystal structures of the bifunctional tRNA methyltransferase Trm5a
Sci Rep, 6, 2016
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8Y53
 | | Cryo-EM structure of the MK-5046-bound BRS3-Gq complex | | Descriptor: | (2~{S})-1,1,1-tris(fluoranyl)-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1~{H}-imidazol-2-yl]propan-2-ol, Bombesin receptor subtype-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, C, Xu, Y, Yin, W, Xu, H.E. | | Deposit date: | 2024-01-31 | | Release date: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Structural insights into ligand recognition, selectivity, and activation of bombesin receptor subtype-3.
Cell Rep, 43, 2024
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8Y52
 | | Cryo-EM structure of the BA1-bound BRS3-Gq complex | | Descriptor: | BA1, Bombesin receptor subtype-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Li, C, Xu, Y, Yin, W, Xu, H.E. | | Deposit date: | 2024-01-31 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural insights into ligand recognition, selectivity, and activation of bombesin receptor subtype-3.
Cell Rep, 43, 2024
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7WMJ
 | | A novel chemical derivative(71) of THRB agonist | | Descriptor: | 2-[[7-[2,6-dimethyl-4-(phenylcarbonyl)phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-14 | | Release date: | 2022-05-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WMO
 | | A novel chemical derivative(92) of THRB agonist | | Descriptor: | 2-[[1-ethoxy-7-[4-(3-fluoranyl-5-methoxy-phenyl)carbonyl-2,6-dimethyl-phenoxy]-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WML
 | | A novel chemical derivative(85) of THRB agonist | | Descriptor: | 2-[[7-[4-(3,5-dimethylphenyl)carbonyl-2,6-dimethyl-phenoxy]-1-ethoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-15 | | Release date: | 2022-05-18 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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7WMN
 | | A novel chemical derivative(89) of THRB agonist | | Descriptor: | 2-[[7-[2,6-dimethyl-4-(3-methylphenyl)carbonyl-phenoxy]-1-methoxy-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid, Isoform Beta-2 of Thyroid hormone receptor beta, Nuclear receptor coactivator 2 | | Authors: | Yao, B.Q, Li, Y. | | Deposit date: | 2022-01-15 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Discovery of a Highly Selective and H435R-Sensitive Thyroid Hormone Receptor beta Agonist.
J.Med.Chem., 65, 2022
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8WM7
 | | Cryo-EM structure of cyanobacterial nitrate/nitrite transporter NrtBCD in complex with signalling protein PII | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Nitrate transport ATP-binding protein, Nitrate transport permease protein, ... | | Authors: | Li, B, Zhou, C.Z, Chen, Y.X, Jiang, Y.L. | | Deposit date: | 2023-10-03 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Allosteric regulation of nitrate transporter NRT via the signaling protein PII.
Proc.Natl.Acad.Sci.USA, 121, 2024
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