3I4A
 
 | | Crystal structure of dimethylarginine dimethylaminohydrolase-1 (DDAH-1) in complex with N5-(1-iminopropyl)-L-ornithine | | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N5-(1-iminopropyl)-L-ornithine | | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Fast, W, Robertus, J.D. | | Deposit date: | 2009-07-01 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.898 Å) | | Cite: | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.
Biochemistry, 48, 2009
|
|
5D8O
 | | 1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa | | Descriptor: | Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M. | | Deposit date: | 2015-08-17 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
|
|
5D8Y
 | | 2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa | | Descriptor: | ACETATE ION, FE (II) ION, 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 (2.05 Å) | | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
|
|
6J75
 | | Structure of 3,6-anhydro-L-galactose Dehydrogenase | | Descriptor: | Aldehyde dehydrogenase A | | Authors: | Li, P.Y, Wang, Y, Chen, X.L, Zhang, Y.Z. | | Deposit date: | 2019-01-17 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.695 Å) | | Cite: | 3,6-Anhydro-L-Galactose Dehydrogenase VvAHGD is a Member of a New Aldehyde Dehydrogenase Family and Catalyzes by a Novel Mechanism with Conformational Switch of Two Catalytic Residues Cysteine 282 and Glutamate 248.
J.Mol.Biol., 432, 2020
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.702 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
|
|
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
|
|
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
|
|
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: | 2018-05-16 | | 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
|
|
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: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Fragment-based approach using diversity-oriented synthesis yields a GSK3b inhibitor
To be Published
|
|
5V39
 | |
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
|
|
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: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Stacking interactions in PUF-RNA complexes.
Rna, 17, 2011
|
|
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
|
|
8HJ4
 | |
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
|
|
4PGF
 | | The structure of mono-acetylated SAHH | | Descriptor: | ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J. | | Deposit date: | 2014-05-01 | | Release date: | 2014-10-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
|
|
4P5M
 | | Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Y, Dai, S, Kappler, J. | | Deposit date: | 2014-03-18 | | Release date: | 2014-08-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
|
|
4PF9
 | | Crystal structure of insulin degrading enzyme complexed with inhibitor | | Descriptor: | Insulin-degrading enzyme, ZINC ION, methyl [(2S)-2-[4-({5-[4-({(2S)-2-[(3S)-3-amino-2-oxopiperidin-1-yl]-2-cyclohexylacetyl}amino)phenyl]pentyl}oxy)phenyl]-3-(quinolin-3-yl)propyl]carbamate | | Authors: | Wang, Y, Guo, S. | | Deposit date: | 2014-04-28 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
|
|
4PFJ
 | | The structure of bi-acetylated SAHH | | Descriptor: | ADENOSINE, Adenosylhomocysteinase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Kavran, J.M, Wang, Y, Cole, P.A, Leahy, D.J. | | Deposit date: | 2014-04-29 | | Release date: | 2014-10-01 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Regulation of s-adenosylhomocysteine hydrolase by lysine acetylation.
J.Biol.Chem., 289, 2014
|
|
4PF7
 | | Crystal structure of insulin degrading enzyme complexed with inhibitor | | Descriptor: | (2S)-2-amino-N-{(1S)-1-cyclohexyl-2-[(4-methylphenyl)amino]-2-oxoethyl}-4-(methylselanyl)butanamide, Insulin-degrading enzyme, ZINC ION | | Authors: | Wang, Y, Guo, S. | | Deposit date: | 2014-04-28 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Dual Exosite-binding Inhibitors of Insulin-degrading Enzyme Challenge Its Role as the Primary Mediator of Insulin Clearance in Vivo.
J.Biol.Chem., 290, 2015
|
|
4PES
 | |
