5D8X
 
 | | 1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ... | | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | Deposit date: | 2015-08-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
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6KG6
 | | Crystal structure of MavC/UBE2N-Ub complex | | Descriptor: | MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N | | Authors: | Wang, Y, Huang, Y, Chang, M, Feng, Y. | | Deposit date: | 2019-07-10 | | Release date: | 2020-04-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
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8VLR
 | | Cryo-EM structure of native H2AK119bu nucleosome at 2.6 | | Descriptor: | DNA (136-MER), Histone H2A type 1-B/E, Histone H2B type 1-A, ... | | Authors: | Wang, Y, Zhang, K. | | Deposit date: | 2024-01-12 | | Release date: | 2025-01-15 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Role of histone variants H2BC1 and H2AZ.2 in H2AK119ub nucleosome organization and Polycomb gene silencing
To Be Published
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5XG8
 | | Galectin-13/Placental Protein 13 variant R53H crystal structure | | Descriptor: | GLYCEROL, Galactoside-binding soluble lectin 13 | | Authors: | Wang, Y, Su, J.Y. | | Deposit date: | 2017-04-12 | | Release date: | 2018-01-31 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Galectin-13, a different prototype galectin, does not bind beta-galacto-sides and forms dimers via intermolecular disulfide bridges between Cys-136 and Cys-138
Sci Rep, 8, 2018
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4P6G
 | | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor. | | Descriptor: | (3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl methylcarbamate, Cathepsin S | | Authors: | Wang, Y, Jadhav, P.K. | | Deposit date: | 2014-03-24 | | Release date: | 2014-10-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
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4P6E
 | | Crystal Structure of Human Cathepsin S Bound to a Non-covalent Inhibitor | | Descriptor: | Cathepsin S, N-[(8R)-8-(benzoylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-methylpiperazine-1-carboxamide, SULFATE ION | | Authors: | Wang, Y, Jadhav, P.K, Deng, G.G. | | Deposit date: | 2014-03-24 | | Release date: | 2014-10-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm.
Acs Med.Chem.Lett., 5, 2014
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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: | 2024-10-23 | | 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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4J71
 | | Crystal Structure of GSK3b in complex with inhibitor 1R | | Descriptor: | (2R)-2-methyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, CHLORIDE ION, Glycogen synthase kinase-3 beta, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-12 | | Release date: | 2013-03-20 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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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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6CCY
 | | Crystal structure of Akt1 in complex with a selective inhibitor | | Descriptor: | (5R)-4-(4-{4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(pyrrolidin-1-yl)ethyl]-1H-imidazol-2-yl}piperidin-1-yl)-5-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one, RAC-alpha serine/threonine-protein kinase,PIFtide | | Authors: | Wang, Y, Stout, S. | | Deposit date: | 2018-02-07 | | Release date: | 2018-05-02 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
Bioorg. Med. Chem. Lett., 28, 2018
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4J1R
 | | Crystal Structure of GSK3b in complex with inhibitor 15R | | Descriptor: | (2R)-2-(1H-indol-3-ylmethyl)-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one, Glycogen synthase kinase-3 beta, PHOSPHATE ION, ... | | Authors: | Zhan, C, Wang, Y, Wach, J, Sheehan, P, Zhong, C, Harris, R, Patskovsky, Y, Bishop, J, Haggarty, S, Ramek, A, Berry, K, O'Herin, C, Koehler, A.N, Hung, A.W, Young, D.W, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-02-01 | | Release date: | 2013-03-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
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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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4M8N
 | | Crystal Structure of PlexinC1/Rap1B Complex | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pascoe, H.G, Wang, Y, Brautigam, C.A, He, H, Zhang, X. | | Deposit date: | 2013-08-13 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.294 Å) | | Cite: | Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
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7N19
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8XAU
 | | Cryo-EM structure of HerA | | Descriptor: | ATP-binding protein | | Authors: | Wang, Y, Deng, Z. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-05 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
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8XAV
 | | Cryo-EM structure of an anti-phage defense complex | | Descriptor: | ATP-binding protein, DUF4297 | | Authors: | Wang, Y, Deng, Z. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-05 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex.
Cell Res., 34, 2024
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3QGC
 | | Crystal structure of FBF-2 R288Y mutant in complex with gld-1 FBEa A7U mutant | | Descriptor: | 5'-R(*UP*GP*UP*GP*CP*CP*UP*UP*A)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Qiu, C, Koh, Y.Y, Opperman, L, Gross, L, Hall, T.M.T, Wickens, M. | | Deposit date: | 2011-01-24 | | Release date: | 2011-03-23 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Stacking interactions in PUF-RNA complexes.
Rna, 17, 2011
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3QGB
 | | Crystal structure of FBF-2 R288Y mutant in complex with gld-1 FBEa | | Descriptor: | 5'-R(*UP*GP*UP*GP*CP*CP*AP*UP*A)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Qiu, C, Koh, Y.Y, Opperman, L, Gross, L, Hall, T.M.T, Wickens, M. | | Deposit date: | 2011-01-24 | | Release date: | 2011-03-23 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Stacking interactions in PUF-RNA complexes.
Rna, 17, 2011
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2I0J
 | | Benzopyrans are Selective Estrogen Receptor beta Agonists (SERBAs) with Novel Activity in Models of Benign Prostatic Hyperplasia | | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL, Estrogen receptor alpha | | Authors: | Wang, Y. | | Deposit date: | 2006-08-10 | | Release date: | 2006-10-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Benzopyrans are selective estrogen receptor Beta agonists with novel activity in models of benign prostatic hyperplasia.
J.Med.Chem., 49, 2006
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6LYI
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4EEV
 | | Crystal structure of c-Met in complex with LY2801653 | | Descriptor: | Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide | | Authors: | Wang, Y, Stout, S.L. | | Deposit date: | 2012-03-28 | | Release date: | 2013-04-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31, 2013
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8YZ7
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6NOD
 | | Crystal structure of C. elegans PUF-8 in complex with RNA | | Descriptor: | PUF (Pumilio/FBF) domain-containing, RNA (5'-R(P*UP*GP*UP*AP*UP*AP*UP*A)-3') | | Authors: | Wang, Y, McCann, K.L, Qiu, C, Hall, T.M.T. | | Deposit date: | 2019-01-16 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.547 Å) | | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo .
Elife, 8, 2019
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5IY4
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8WLL
 | | Cryo-EM structure of human VMAT2 Y422C, in the presence of reserpine, determined in an inward-facing conformation | | Descriptor: | Synaptic vesicular amine transporter, reserpine | | Authors: | Qu, Q, Wang, Y, Zhou, Z. | | Deposit date: | 2023-09-30 | | Release date: | 2024-06-12 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Transport and inhibition mechanism for VMAT2-mediated synaptic vesicle loading of monoamines.
Cell Res., 34, 2024
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