5FNV
 
 | | a new complex structure of tubulin with an alpha-beta unsaturated lactone | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, Y, Naismith, J, Zhu, X. | | Deposit date: | 2015-11-16 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
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6LXW
 | | Cryo-EM structure of human secretory immunoglobulin A in complex with the N-terminal domain of SpsA | | Descriptor: | Immunoglobulin J chain, Interleukin-2,Immunoglobulin heavy constant alpha 1, Polymeric immunoglobulin receptor, ... | | Authors: | Wang, Y, Wang, G, Li, Y, Xiao, J. | | Deposit date: | 2020-02-12 | | Release date: | 2020-05-27 | | Last modified: | 2020-07-22 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Structural insights into secretory immunoglobulin A and its interaction with a pneumococcal adhesin.
Cell Res., 30, 2020
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5H74
 | | Crystal structure of T2R-TTL-14b complex | | Descriptor: | (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Wang, Y, Yu, Y, Chen, Q, Yang, J. | | Deposit date: | 2016-11-17 | | Release date: | 2017-11-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure-Activity Relationship Studies of Tubulysin Analogues: Anticancer N-Alkyltubulysins with Subpicomolar Activity and the Crystal Structure Binding to Tubulin
To Be Published
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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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5YVE
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6AEJ
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-05 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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4FAF
 | | Substrate CA/p2 in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, substrate CA/p2 peptide | | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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6AK4
 | | Crystal structure of human FTO in complex with small-molecule inhibitors | | Descriptor: | (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION | | Authors: | Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N. | | Deposit date: | 2018-08-30 | | Release date: | 2019-07-10 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
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4FAE
 | | Substrate p2/NC in Complex with a Human Immunodeficiency Virus Type 1 Protease Variant | | Descriptor: | HIV-1 protease, Substrate p2/NC peptide | | Authors: | Wang, Y, Dewdney, T.G, Liu, Z, Reiter, S.J, Brunzelle, J.S, Kovari, I.A, Kovari, L.C. | | Deposit date: | 2012-05-22 | | Release date: | 2012-08-29 | | Last modified: | 2023-07-26 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Higher Desolvation Energy Reduces Molecular Recognition in Multi-Drug Resistant HIV-1 Protease.
Biology (Basel), 1, 2012
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2FSZ
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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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2H52
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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: | 2023-12-27 | | 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: | 2023-12-27 | | 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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3K61
 | | Crystal structure of FBF-2/fog-1 FBEa complex | | Descriptor: | 5'-R(*UP*GP*UP*AP*AP*AP*AP*UP*C)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Opperman, L, Wickens, M, Hall, T.M.T. | | Deposit date: | 2009-10-08 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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6KZD
 | | Crystal structure of TRKc in complex with 3-((6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl)ethynyl)- N-(3-isopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-2- methylbenzamide | | Descriptor: | 3-[2-[6-(4-aminophenyl)imidazo[1,2-a]pyrazin-3-yl]ethynyl]-2-methyl-~{N}-[3-(4-methylpiperazin-1-yl)-5-propan-2-yl-phenyl]benzamide, NT-3 growth factor receptor, PHOSPHATE ION | | Authors: | Wang, Y, Zhang, Z.M. | | Deposit date: | 2019-09-23 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.708 Å) | | Cite: | Design, synthesis and biological evaluation of 3-(imidazo[1,2-a]pyrazin-3-ylethynyl)-2-methylbenzamides as potent and selective pan-tropomyosin receptor kinase (TRK) inhibitors.
Eur.J.Med.Chem., 179, 2019
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3K5Y
 | | Crystal structure of FBF-2/gld-1 FBEa complex | | Descriptor: | 5'-R(*UP*GP*UP*GP*CP*CP*AP*UP*A)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Opperman, L, Wickens, M, Hall, T.M.T. | | Deposit date: | 2009-10-08 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3K62
 | | Crystal structure of FBF-2/gld-1 FBEb complex | | Descriptor: | 5'-R(*UP*GP*UP*GP*UP*UP*AP*UP*C)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Opperman, L, Wickens, M, Hall, T.M.T. | | Deposit date: | 2009-10-08 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3K5Q
 | | Crystal structure of FBF-2/FBE complex | | Descriptor: | 5'-R(P*UP*GP*UP*AP*CP*UP*AP*UP*A)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Opperman, L, Wickens, M, Hall, T.M.T. | | Deposit date: | 2009-10-07 | | Release date: | 2009-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3K5Z
 | | Crystal structure of FBF-2/gld-1 FBEa G4A mutant complex | | Descriptor: | 5'-R(*UP*GP*UP*AP*CP*CP*AP*UP*A)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Opperman, L, Wickens, M, Hall, T.M.T. | | Deposit date: | 2009-10-08 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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3K64
 | | Crystal structure of FBF-2/fem-3 PME complex | | Descriptor: | 5'-R(*UP*GP*UP*GP*UP*CP*AP*UP*U)-3', Fem-3 mRNA-binding factor 2 | | Authors: | Wang, Y, Opperman, L, Wickens, M, Hall, T.M.T. | | Deposit date: | 2009-10-08 | | Release date: | 2009-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for specific recognition of multiple mRNA targets by a PUF regulatory protein.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2Z4B
 | | Estrogen receptor beta ligand-binding domain complexed 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 beta | | Authors: | Wang, Y. | | Deposit date: | 2007-06-14 | | Release date: | 2007-08-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.34 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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3LJQ
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8HN9
 | | Human SIRT3 Recognizing CCNE2K348la peptide | | Descriptor: | CCNE2 peptide, IMIDAZOLE, NAD-dependent protein deacetylase sirtuin-3, ... | | Authors: | Wang, Y, Ding, W. | | Deposit date: | 2022-12-07 | | Release date: | 2023-05-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | SIRT3-dependent delactylation of cyclin E2 prevents hepatocellular carcinoma growth.
Embo Rep., 24, 2023
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6LK0
 | | Crystal structure of human wild type TRIP13 | | Descriptor: | Pachytene checkpoint protein 2 homolog | | Authors: | Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. | | Deposit date: | 2019-12-17 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
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