4K48
 
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain | | Descriptor: | Leucine--tRNA ligase | | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-04 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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4K47
 | | Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct | | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate | | Authors: | Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. | | Deposit date: | 2013-04-12 | | Release date: | 2013-09-04 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase
Sci Rep, 3, 2013
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3RAV
 | | Horse spleen apo-ferritin with bound Pentobarbital | | Descriptor: | 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione, CADMIUM ION, Ferritin light chain, ... | | Authors: | Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2011-03-28 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High resolution view of barbiturate recognition by a protein binding site
to be published
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4H48
 | | 1.45 angstrom CyPet Structure at pH7.0 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Green fluorescent protein | | Authors: | Hu, X.-J, Liu, R. | | Deposit date: | 2012-09-17 | | Release date: | 2013-09-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure insight of the fluorescent state of CyPet
To be Published
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3RD0
 | | Horse spleen apo-ferritin with bound thiopental | | Descriptor: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, CADMIUM ION, Ferritin light chain, ... | | Authors: | Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2011-03-31 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High resolution view of barbiturate recognition by a protein binding site
to be published
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4H47
 | | 1.9 angstrom CyPet structure at pH5.2 | | Descriptor: | ACETATE ION, Green fluorescent protein, SULFATE ION | | Authors: | Hu, X.-J, Liu, R. | | Deposit date: | 2012-09-17 | | Release date: | 2013-09-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights of the fluorescent states of CyPet
To be Published
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2LSP
 | | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | | Descriptor: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | | Authors: | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
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2F9V
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2005-12-06 | | Release date: | 2007-01-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity.
Bioorg.Med.Chem.Lett., 16, 2006
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8UD8
 | | Crystal structure of the A2503-C2,C8-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8UD6
 | | Crystal structure of the wild-type Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8UD7
 | | Crystal structure of the A2058-N6-dimethylated Thermus thermophilus 70S ribosome in complex with cresomycin, mRNA, deacylated A-site tRNAphe, aminoacylated P-site fMet-tRNAmet, and deacylated E-site tRNAphe at 2.70A resolution | | Descriptor: | (4S,5aS,8S,8aR)-4-(2-methylpropyl)-N-[(1R,5Z,7R,8R,9R,10R,11S,12R)-10,11,12-trihydroxy-7-methyl-13-oxa-2-thiabicyclo[7.3.1]tridec-5-en-8-yl]octahydro-2H-oxepino[2,3-c]pyrrole-8-carboxamide (non-preferred name), 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | Authors: | Aleksandrova, E.V, Syroegin, E.A, Wu, K.J.Y, Tresco, B.I.C, Ramkissoon, A, See, D.N.Y, Liow, P, Dittemore, G.A, Yu, M, Testolin, G, Mitcheltree, M.J, Liu, R.Y, Svetlov, M.S, Myers, A.G, Polikanov, Y.S. | | Deposit date: | 2023-09-28 | | Release date: | 2024-02-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | An antibiotic preorganized for ribosomal binding overcomes antimicrobial resistance.
Science, 383, 2024
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8XN7
 | | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | | Descriptor: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Huang, W.X, Liu, R, Ding, K. | | Deposit date: | 2023-12-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
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6LMJ
 | | ASFV pA104R in complex with double-strand DNA | | Descriptor: | A104R, DNA (5'-D(*TP*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*TP*GP*CP*A)-3') | | Authors: | Wang, H, Qi, J, Chai, Y, Gao, F, Liu, R. | | Deposit date: | 2019-12-25 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The structural basis of African swine fever virus pA104R binding to DNA and its inhibition by stilbene derivatives.
Proc.Natl.Acad.Sci.USA, 117, 2020
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8GZ3
 | | Structure of human phagocyte NADPH oxidase in the resting state | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7D5 Fab heavy chain, ... | | Authors: | Chen, L, Liu, R. | | Deposit date: | 2022-09-24 | | Release date: | 2022-12-21 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure of human phagocyte NADPH oxidase in the resting state.
Elife, 11, 2022
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8HBF
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8HBE
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8HBH
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6JYV
 | | Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1 | | Descriptor: | Probable iron/ascorbate oxidoreductase, SODIUM ION | | Authors: | Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M. | | Deposit date: | 2019-04-28 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019
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7VSP
 | | Crystal strcuture of the tandem B-Box domains of COL2 | | Descriptor: | ZINC ION, Zinc finger protein CONSTANS-LIKE 2 | | Authors: | Lv, X, Liu, R, Du, J. | | Deposit date: | 2021-10-27 | | Release date: | 2022-03-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
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6JT2
 | | Structure of human soluble guanylate cyclase in the NO activated state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, MAGNESIUM ION, ... | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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6JT0
 | | Structure of human soluble guanylate cyclase in the unliganded state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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6JT1
 | | Structure of human soluble guanylate cyclase in the heme oxidised state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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7VSI
 | | Structure of human SGLT2-MAP17 complex bound with empagliflozin | | Descriptor: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, PALMITIC ACID, PDZK1-interacting protein 1, ... | | Authors: | Chen, L, Niu, Y, Liu, R. | | Deposit date: | 2021-10-26 | | Release date: | 2021-12-15 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of inhibition of the human SGLT2-MAP17 glucose transporter.
Nature, 601, 2022
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5ZVD
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5ZVE
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