5UZ0
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![BU of 5uz0 by Molmil](/molmil-images/mine/5uz0) | Crystal structure of AICARFT bound to an antifolate | Descriptor: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, Bifunctional purine biosynthesis protein PURH, MAGNESIUM ION, ... | Authors: | Atwell, S, Wang, Y, Fales, K.R, Clawson, D, Wang, J. | Deposit date: | 2017-02-24 | Release date: | 2018-01-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of N-(6-Fluoro-1-oxo-1,2-dihydroisoquinolin-7-yl)-5-[(3R)-3-hydroxypyrrolidin-1-yl]thiophene-2-sulfonamide (LSN 3213128), a Potent and Selective Nonclassical Antifolate Aminoimidazole-4-carboxamide Ribonucleotide Formyltransferase (AICARFT) Inhibitor Effective at Tumor Suppression in a Cancer Xenograft Model. J. Med. Chem., 60, 2017
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6WG8
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![BU of 6wg8 by Molmil](/molmil-images/mine/6wg8) | Fab portion of dupilumab with Crystal Kappa design | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain, GLYCEROL | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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6WGJ
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![BU of 6wgj by Molmil](/molmil-images/mine/6wgj) | Fab portion of dupilumab with Crystal Kappa design and no interchain disulfide | Descriptor: | Dupilumab Fab heavy chain, Dupilumab Fab light chain | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | Deposit date: | 2020-04-05 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing. Plos One, 15, 2020
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7C38
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![BU of 7c38 by Molmil](/molmil-images/mine/7c38) | Crystal structure of AofleA from Arthrobotrys oligospora in complex with L-fucose | Descriptor: | AofleA, GLYCEROL, alpha-L-fucopyranose, ... | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2020-05-11 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol., 164, 2020
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1NMI
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![BU of 1nmi by Molmil](/molmil-images/mine/1nmi) | Solution structure of the imidazole complex of iso-1 cytochrome c | Descriptor: | Cytochrome c, iso-1, HEME C, ... | Authors: | Yao, Y, Tong, Y, Liu, G, Wang, J, Zheng, J, Tang, W. | Deposit date: | 2003-01-10 | Release date: | 2003-02-04 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of the imidazole complex of iso-1 cytochrome c To be Published
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7C3E
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![BU of 7c3e by Molmil](/molmil-images/mine/7c3e) | Crystal structure of R97A/R150A/R203A mutant of AofleA from Arthrobotrys oligospora | Descriptor: | AofleA, GLYCEROL, SULFATE ION | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2020-05-12 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.183 Å) | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol., 164, 2020
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1K1D
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![BU of 1k1d by Molmil](/molmil-images/mine/1k1d) | Crystal structure of D-hydantoinase | Descriptor: | D-hydantoinase, ZINC ION | Authors: | Cheon, Y.H, Kim, H.S, Han, K.H, Abendroth, J, Niefind, K, Schomburg, D, Wang, J, Kim, Y. | Deposit date: | 2001-09-25 | Release date: | 2002-08-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Crystal structure of D-hydantoinase from Bacillus stearothermophilus: insight into the stereochemistry of enantioselectivity. Biochemistry, 41, 2002
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7C3C
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![BU of 7c3c by Molmil](/molmil-images/mine/7c3c) | Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-manose | Descriptor: | AofleA, GLYCEROL, alpha-D-mannopyranose, ... | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2020-05-12 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol., 164, 2020
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7LAD
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![BU of 7lad by Molmil](/molmil-images/mine/7lad) | Clobetasol propionate bound to CYP3A5 | Descriptor: | Clobetasol propionate, Cytochrome P450 3A5, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Buchman, C.D, Miller, D, Wang, J, Jayaraman, S, Chen, T. | Deposit date: | 2021-01-06 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Unraveling the Structural Basis of Selective Inhibition of Human Cytochrome P450 3A5. J.Am.Chem.Soc., 143, 2021
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7C37
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![BU of 7c37 by Molmil](/molmil-images/mine/7c37) | Crystal structure of AofleA from Arthrobotrys oligospora | Descriptor: | AofleA, BICINE | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | Deposit date: | 2020-05-11 | Release date: | 2020-07-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.451 Å) | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora. Int.J.Biol.Macromol., 164, 2020
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3R45
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![BU of 3r45 by Molmil](/molmil-images/mine/3r45) | Structure of a CENP-A-Histone H4 Heterodimer in complex with chaperone HJURP | Descriptor: | GLYCEROL, Histone H3-like centromeric protein A, Histone H4, ... | Authors: | Hu, H, Liu, Y, Wang, M, Fang, J, Huang, H, Yang, N, Li, Y, Wang, J, Yao, X, Shi, Y, Li, G, Xu, R.M. | Deposit date: | 2011-03-17 | Release date: | 2011-04-06 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of a CENP-A-histone H4 heterodimer in complex with chaperone HJURP Genes Dev., 25, 2011
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1R0E
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![BU of 1r0e by Molmil](/molmil-images/mine/1r0e) | Glycogen synthase kinase-3 beta in complex with 3-indolyl-4-arylmaleimide inhibitor | Descriptor: | 3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-PHENYL]-4-(5-FLUORO-1-METHYL-1H-INDOL-3-YL)-PYRROLE-2,5-DIONE, CITRATE ANION, Glycogen synthase kinase-3 beta | Authors: | Allard, J, Nikolcheva, T, Gong, L, Wang, J, Dunten, P, Avnur, Z, Waters, R, Sun, Q, Skinner, B. | Deposit date: | 2003-09-20 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | From genetics to therapeutics: the Wnt pathway and osteoporosis To be Published
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4XOI
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![BU of 4xoi by Molmil](/molmil-images/mine/4xoi) | Structure of hsAnillin bound with RhoA(Q63L) at 2.1 Angstroms resolution | Descriptor: | Actin-binding protein anillin, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Sun, L, Guan, R, Lee, I.-J, Liu, Y, Chen, M, Wang, J, Wu, J, Chen, Z. | Deposit date: | 2015-01-16 | Release date: | 2015-07-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Mechanistic insights into the anchorage of the contractile ring by anillin and mid1 Dev.Cell, 33, 2015
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4IXP
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![BU of 4ixp by Molmil](/molmil-images/mine/4ixp) | |
7TOB
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![BU of 7tob by Molmil](/molmil-images/mine/7tob) | Crystal structure of the SARS-CoV-2 Omicron main protease (Mpro) in complex with inhibitor GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | Authors: | Sacco, M.D, Wang, J, Chen, Y. | Deposit date: | 2022-01-24 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The P132H mutation in the main protease of Omicron SARS-CoV-2 decreases thermal stability without compromising catalysis or small-molecule drug inhibition. Cell Res., 32, 2022
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5JPS
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![BU of 5jps by Molmil](/molmil-images/mine/5jps) | |
7TQL
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![BU of 7tql by Molmil](/molmil-images/mine/7tql) | CryoEM structure of the human 40S small ribosomal subunit in complex with translation initiation factors eIF1A and eIF5B. | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ... | Authors: | Lapointe, C.P, Grosely, R, Sokabe, M, Alvarado, C, Wang, J, Montabana, E, Villa, N, Shin, B, Dever, T, Fraser, C, Fernandez, I.S, Puglisi, J.D. | Deposit date: | 2022-01-26 | Release date: | 2022-04-27 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | eIF5B and eIF1A reorient initiator tRNA to allow ribosomal subunit joining. Nature, 607, 2022
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4RHR
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![BU of 4rhr by Molmil](/molmil-images/mine/4rhr) | Crystal structure of PltB | Descriptor: | ACETATE ION, Putative pertussis-like toxin subunit | Authors: | Gao, X, Wang, J, Galan, J. | Deposit date: | 2014-10-02 | Release date: | 2014-10-29 | Last modified: | 2014-12-17 | Method: | X-RAY DIFFRACTION (2.079 Å) | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi. Cell(Cambridge,Mass.), 159, 2014
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4RHS
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![BU of 4rhs by Molmil](/molmil-images/mine/4rhs) | Crystal structure of GD2 bound PltB | Descriptor: | ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit | Authors: | Gao, X, Wang, J, Galan, J. | Deposit date: | 2014-10-02 | Release date: | 2014-10-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9211 Å) | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi. Cell(Cambridge,Mass.), 159, 2014
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3KVW
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![BU of 3kvw by Molmil](/molmil-images/mine/3kvw) | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | Descriptor: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-11-30 | Release date: | 2010-01-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand To be Published
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3J32
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![BU of 3j32 by Molmil](/molmil-images/mine/3j32) | An asymmetric unit map from electron cryo-microscopy of Haliotis diversicolor molluscan hemocyanin isoform 1 (HdH1) | Descriptor: | Hemocyanin isoform 1 | Authors: | Zhang, Q, Dai, X, Cong, Y, Zhang, J, Chen, D.-H, Dougherty, M, Wang, J, Ludtke, S, Schmid, M.F, Chiu, W. | Deposit date: | 2013-02-20 | Release date: | 2013-04-17 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of a molluscan hemocyanin suggests its allosteric mechanism. Structure, 21, 2013
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2Z3B
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![BU of 2z3b by Molmil](/molmil-images/mine/2z3b) | Crystal Structure of Bacillus Subtilis CodW, a non-canonical HslV-like peptidase with an impaired catalytic apparatus | Descriptor: | ATP-dependent protease hslV, SODIUM ION | Authors: | Rho, S.H, Park, H.H, Kang, G.B, Lim, Y.J, Kang, M.S, Lim, B.K, Seong, I.S, Chung, C.H, Wang, J, Eom, S.H. | Deposit date: | 2007-06-03 | Release date: | 2008-03-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of Bacillus subtilis CodW, a noncanonical HslV-like peptidase with an impaired catalytic apparatus Proteins, 71, 2007
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3HPH
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![BU of 3hph by Molmil](/molmil-images/mine/3hph) | Closed tetramer of Visna virus integrase (residues 1-219) in complex with LEDGF IBD | Descriptor: | GLYCEROL, Integrase, PC4 and SFRS1-interacting protein, ... | Authors: | Hare, S, Wang, J, Cherepanov, P. | Deposit date: | 2009-06-04 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Structural basis for functional tetramerization of lentiviral integrase Plos Pathog., 5, 2009
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5KTJ
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![BU of 5ktj by Molmil](/molmil-images/mine/5ktj) | Crystal structure of Pistol, a class of self-cleaving ribozyme | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, Pistol (50-MER), ... | Authors: | Nguyen, L.A, Wang, J, Steitz, T.A. | Deposit date: | 2016-07-11 | Release date: | 2016-10-05 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Crystal structure of Pistol, a class of self-cleaving ribozyme. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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2BAZ
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![BU of 2baz by Molmil](/molmil-images/mine/2baz) | |