5D8X
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![BU of 5d8x by Molmil](/molmil-images/mine/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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5D8O
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![BU of 5d8o by Molmil](/molmil-images/mine/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
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5D8Y
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![BU of 5d8y by Molmil](/molmil-images/mine/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
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3ZG6
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![BU of 3zg6 by Molmil](/molmil-images/mine/3zg6) | The novel de-long chain fatty acid function of human sirt6 | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, GLYCEROL, NAD-DEPENDENT PROTEIN DEACETYLASE SIRTUIN-6, ... | Authors: | Wang, Y, Hao, Q. | Deposit date: | 2012-12-15 | Release date: | 2013-04-03 | Last modified: | 2013-04-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Sirt6 Regulates Tnf-Alpha Secretion Through Hydrolysis of Long-Chain Fatty Acyl Lysine Nature, 496, 2013
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5FNV
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![BU of 5fnv by Molmil](/molmil-images/mine/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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3I2E
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![BU of 3i2e by Molmil](/molmil-images/mine/3i2e) | Crystal structure of human dimethylarginine dymethylaminohydrolase-1 (DDAH-1) | Descriptor: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | Authors: | Monzingo, A.F, Wang, Y, Hu, S, Schaller, T.H, Robertus, J.D, Fast, W. | Deposit date: | 2009-06-29 | Release date: | 2009-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.03 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
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3I4A
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![BU of 3i4a by Molmil](/molmil-images/mine/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
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2R6W
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![BU of 2r6w by Molmil](/molmil-images/mine/2r6w) | Estrogen receptor alpha ligand-binding domain complexed to a SERM | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone | Authors: | Wang, Y. | Deposit date: | 2007-09-06 | Release date: | 2008-04-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Prediction of the tissue-specificity of selective estrogen receptor modulators by using a single biochemical method. Proc.Natl.Acad.Sci.Usa, 105, 2008
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4EEV
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![BU of 4eev by Molmil](/molmil-images/mine/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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6J76
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![BU of 6j76 by Molmil](/molmil-images/mine/6j76) | Structure of 3,6-anhydro-L-galactose Dehydrogenase in Complex with NAP | Descriptor: | Aldehyde dehydrogenase A, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 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 (2.368 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
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8HJ4
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![BU of 8hj4 by Molmil](/molmil-images/mine/8hj4) | |
4J1R
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![BU of 4j1r by Molmil](/molmil-images/mine/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
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4J71
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![BU of 4j71 by Molmil](/molmil-images/mine/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
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6KG6
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![BU of 6kg6 by Molmil](/molmil-images/mine/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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6J75
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![BU of 6j75 by Molmil](/molmil-images/mine/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
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6AEJ
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![BU of 6aej by Molmil](/molmil-images/mine/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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3QGC
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![BU of 3qgc by Molmil](/molmil-images/mine/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
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7BXG
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![BU of 7bxg by Molmil](/molmil-images/mine/7bxg) | MavC-UBE2N-Ub complex | Descriptor: | MavC, Polyubiquitin-C, Ubiquitin-conjugating enzyme E2 N | Authors: | Gao, P, Wang, Y. | Deposit date: | 2020-04-19 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.705 Å) | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors. Nat Commun, 11, 2020
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7BXH
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![BU of 7bxh by Molmil](/molmil-images/mine/7bxh) | MavC-Lpg2149 complex | Descriptor: | Lpg2149, MavC | Authors: | Gao, P, Wang, Y. | Deposit date: | 2020-04-19 | Release date: | 2020-05-20 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Insights into catalysis and regulation of non-canonical ubiquitination and deubiquitination by bacterial deamidase effectors. Nat Commun, 11, 2020
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6NOD
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![BU of 6nod by Molmil](/molmil-images/mine/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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5YVE
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![BU of 5yve by Molmil](/molmil-images/mine/5yve) | |
5DMK
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![BU of 5dmk by Molmil](/molmil-images/mine/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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4P6G
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![BU of 4p6g by Molmil](/molmil-images/mine/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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7JOF
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![BU of 7jof by Molmil](/molmil-images/mine/7jof) | Calcium-bound C2A Domain from Human Dysferlin | Descriptor: | CALCIUM ION, Isoform 6 of Dysferlin | Authors: | Tadayon, R, Wang, Y, Santamaria, L, Mercier, P, Forristal, C, Shaw, G.S. | Deposit date: | 2020-08-06 | Release date: | 2021-06-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Calcium binds and rigidifies the dysferlin C2A domain in a tightly coupled manner. Biochem.J., 478, 2021
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7ESI
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![BU of 7esi by Molmil](/molmil-images/mine/7esi) | Crystal structure of the collagenase unit of a Vibrio collagenase from Vibrio harveyi VHJR7 at 1. 8 angstrom resolution. | Descriptor: | CALCIUM ION, Collagenase unit (CU), Peptide P1, ... | Authors: | Cao, H.Y, Wang, Y, Peng, M, Zhang, Y.Z. | Deposit date: | 2021-05-11 | Release date: | 2022-02-09 | Last modified: | 2023-02-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Vibrio collagenase VhaC provides insight into the mechanism of bacterial collagenolysis. Nat Commun, 13, 2022
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