6ISO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6iso by Molmil](/molmil-images/mine/6iso) | Human SIRT3 Recognizing H3K4cr | Descriptor: | (2E)-BUT-2-ENAL, ARG-THR-LYS-GLN-THR-ALA-ARG, GLYCEROL, ... | Authors: | Wang, Y, Hao, Q. | Deposit date: | 2018-11-17 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Identification of 'erasers' for lysine crotonylated histone marks using a chemical proteomics approach. Elife, 3, 2014
|
|
8YZ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8yz7 by Molmil](/molmil-images/mine/8yz7) | |
5H1K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h1k by Molmil](/molmil-images/mine/5h1k) | Crystal structure of WD40 repeat domains of Gemin5 in complex with 13-nt U4 snRNA fragment | Descriptor: | Gem-associated protein 5, U4 snRNA (5'-R(*GP*CP*AP*AP*UP*UP*UP*UP*UP*GP*AP*CP*A)-3') | Authors: | Wang, Y, Jin, W, Liu, C.P, Yang, N, Jin, M, Cong, Y, Wang, M, Xu, R.M. | Deposit date: | 2016-10-10 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for snRNA recognition by the double-WD40 repeat domain of Gemin5 Genes Dev., 30, 2016
|
|
4J1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4J71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6AEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6NOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6AK4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ak4 by Molmil](/molmil-images/mine/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
|
|
5YVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yve by Molmil](/molmil-images/mine/5yve) | |
3NYL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3nyl by Molmil](/molmil-images/mine/3nyl) | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain | Descriptor: | Amyloid beta (A4) protein (Peptidase nexin-II, Alzheimer disease), isoform CRA_b | Authors: | Ha, Y, Hu, J, Lee, S, Liu, X, Wang, Y. | Deposit date: | 2010-07-15 | Release date: | 2011-07-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The X-ray structure of an antiparallel dimer of the human amyloid precursor protein E2 domain. Mol.Cell, 15, 2004
|
|
2R6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8HN9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hn9 by Molmil](/molmil-images/mine/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
|
|
2R6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2r6y by Molmil](/molmil-images/mine/2r6y) | Estrogen receptor alpha ligand-binding domain in complex with a SERM | Descriptor: | Estrogen receptor, [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)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
|
|
5D8Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d8q by Molmil](/molmil-images/mine/5d8q) | 2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa | Descriptor: | ARSENIC, Ferroxidase, MAGNESIUM ION, ... | 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 (2.2 Å) | Cite: | Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots. Biochemistry, 54, 2015
|
|
5D8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1FB9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fb9 by Molmil](/molmil-images/mine/1fb9) | |
3AB6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ab6 by Molmil](/molmil-images/mine/3ab6) | Crystal structure of NAG3 bound lysozyme from Meretrix lusoria | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme | Authors: | Yoneda, K, Kuwano, Y, Araki, T. | Deposit date: | 2009-12-01 | Release date: | 2010-12-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | The tertiary structure of an i-type lysozyme isolated from the common orient clam (Meretrix lusoria) Acta Crystallogr.,Sect.F, 69, 2013
|
|
3I2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7N19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7n19 by Molmil](/molmil-images/mine/7n19) | |
2Z4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2z4b by Molmil](/molmil-images/mine/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
|
|
3I4A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
8XAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8xav by Molmil](/molmil-images/mine/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: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Molecular and structural basis of an ATPase-nuclease dual-enzyme anti-phage defense complex. Cell Res., 2024
|
|
4P6G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
6KG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
5XG8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xg8 by Molmil](/molmil-images/mine/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 | 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
|
|