4IW2
 
 | | HSA-glucose complex | | Descriptor: | D-glucose, PHOSPHATE ION, Serum albumin, ... | | Authors: | Wang, Y, Yu, H, Shi, X, Luo, Z, Huang, M. | | Deposit date: | 2013-01-23 | | Release date: | 2013-04-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
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5DMK
 | | Crystal Structure of IAg7 in complex with RLGL-WE14 | | Descriptor: | CITRATE ANION, H-2 class II histocompatibility antigen, A-D alpha chain, ... | | Authors: | Wang, Y, Jin, N, Dai, S, Kappler, J.W. | | Deposit date: | 2015-09-08 | | Release date: | 2015-10-28 | | Last modified: | 2016-04-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | N-terminal additions to the WE14 peptide of chromogranin A create strong autoantigen agonists in type 1 diabetes.
Proc.Natl.Acad.Sci.USA, 112, 2015
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4IW1
 | | HSA-fructose complex | | Descriptor: | D-fructose, PHOSPHATE ION, Serum albumin, ... | | Authors: | Wang, Y, Yu, H, Shi, X, Huang, M. | | Deposit date: | 2013-01-23 | | Release date: | 2013-04-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
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4JFK
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one | | Descriptor: | (1S,6R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-10-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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5ZED
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (E214V/T215S) | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Uncharacterized protein ADH | | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | Deposit date: | 2018-02-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.199 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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7XYE
 | | The apo structure of Orf1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, N-formimidoyl fortimicin A synthase | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-06-01 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.482 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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2OCJ
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8K3B
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2QFL
 | | Structure of SuhB: Inositol monophosphatase and extragenic suppressor from E. coli | | Descriptor: | ACETATE ION, ETHYL ACETATE, Inositol-1-monophosphatase | | Authors: | Wang, Y, Stieglitz, K.A, Bubunenko, M, Court, D, Stec, B, Roberts, M.F. | | Deposit date: | 2007-06-27 | | Release date: | 2007-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The structure of the R184A mutant of the inositol monophosphatase encoded by suhB and implications for its functional interactions in Escherichia coli.
J.Biol.Chem., 282, 2007
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5Z2X
 | | Structure of Alcohol dehydrogenase from Kluyveromyces polyspora(KpADH) | | Descriptor: | 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, Y, Zhou, J.Y, Hou, X.D, Xu, G.C, Wu, L, Rao, Y.J, ZHou, J.H, Ni, Y. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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2ROU
 | | Stereospecific Conformations of N2-dG 1R-trans-anti-Benzo[c]phenanthrene DNA Adducts: 3'-Intercalation of the 1R Adduct and 5'-Minor Groove Orientation of the 1S Adduct in an Iterated (CG)3 Repeat | | Descriptor: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, DNA (5'-D(*DAP*DTP*DCP*DGP*DCP*DGP*DCP*DGP*DGP*DCP*DAP*DTP*DG)-3'), DNA (5'-D(*DCP*DAP*DTP*DGP*DCP*DCP*DGP*DCP*DGP*DCP*DGP*DAP*DT)-3') | | Authors: | Wang, Y, Kroth, H, Yagi, H, Sayer, J.M, Kumar, S, Jerina, D.M, Stone, M.P. | | Deposit date: | 2008-04-20 | | Release date: | 2009-03-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | 3'-Intercalation of a N2-dG 1R-trans-anti-benzo[c]phenanthrene DNA adduct in an iterated (CG)3 repeat
Chem.Res.Toxicol., 21, 2008
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7WOF
 | | SARS-CoV-2 3CLpro | | Descriptor: | (2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-21 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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7WO1
 | | Discovery of SARS-CoV-2 3CLpro peptidomimetic inhibitors through H41-specific protein-ligand interactions | | Descriptor: | 3C-like proteinase, N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide | | Authors: | Wang, Y, Ye, S. | | Deposit date: | 2022-01-20 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of SARS-CoV-2 3CL Pro Peptidomimetic Inhibitors through the Catalytic Dyad Histidine-Specific Protein-Ligand Interactions.
Int J Mol Sci, 23, 2022
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4JFM
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate | | Descriptor: | 2-(3,4-dimethoxyphenoxy)ethyl (2S)-1-[(2-oxo-2,3-dihydro-1,3-benzothiazol-6-yl)sulfonyl]piperidine-2-carboxylate, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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4M8M
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5ZEC
 | | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Q136N/F161V/S196G/E214G/S237C) | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ... | | Authors: | Wang, Y, ZHou, J.Y, Hou, X.D, Xu, G.C, Rao, Y.J, Wu, L, Zhou, J.H, Ni, Y. | | Deposit date: | 2018-02-27 | | Release date: | 2019-01-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Structural Insight into Enantioselective Inversion of an Alcohol Dehydrogenase Reveals a "Polar Gate" in Stereorecognition of Diaryl Ketones.
J. Am. Chem. Soc., 140, 2018
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4JFL
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one | | Descriptor: | 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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7YPV
 | | Crystal structure of OrE-ST-F | | Descriptor: | Acetyltransferase, Streptothricin F | | Authors: | Wang, Y.L, Li, T.L. | | Deposit date: | 2022-08-04 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.415 Å) | | Cite: | N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Nat Commun, 14, 2023
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4JFI
 | | Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione | | Descriptor: | 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F. | | Deposit date: | 2013-02-28 | | Release date: | 2013-08-28 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
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4MJW
 | | Crystal Structure of Choline Oxidase in Complex with the Reaction Product Glycine Betaine | | Descriptor: | ACETATE ION, Choline oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Wang, Y.-F, Salvi, F, Gadda, G, Weber, I.T. | | Deposit date: | 2013-09-04 | | Release date: | 2014-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of choline oxidase in complex with the reaction product glycine betaine.
Acta Crystallogr.,Sect.D, 70, 2014
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2Q70
 | | Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand | | Descriptor: | (3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor | | Authors: | Wang, Y. | | Deposit date: | 2007-06-05 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.
Bioorg.Med.Chem.Lett., 17, 2007
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2GL9
 | | Crystal Structure of Glycosylasparaginase-Substrate Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARAGINE, Glycosylasparaginase alpha chain, ... | | Authors: | Wang, Y, Guo, H.C. | | Deposit date: | 2006-04-04 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic snapshot of a productive glycosylasparaginase-substrate complex.
J.Mol.Biol., 366, 2007
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5G4C
 | | Human SIRT2 catalyse short chain fatty acyl lysine | | Descriptor: | CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-2, SIRT2, ... | | Authors: | Wang, Y. | | Deposit date: | 2016-05-09 | | Release date: | 2017-05-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | SIRT2 Reverses 4-Oxononanoyl Lysine Modification on Histones.
J. Am. Chem. Soc., 138, 2016
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5H00
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5GZX
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