7BYU
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![BU of 7byu by Molmil](/molmil-images/mine/7byu) | Crystal structure of Acidovorax avenae L-fucose mutarotase (apo form) | Descriptor: | 1,2-ETHANEDIOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, L-fucose mutarotase | Authors: | Watanabe, Y, Fukui, Y, Watanabe, S. | Deposit date: | 2020-04-24 | Release date: | 2020-05-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Functional and structural characterization of a novel L-fucose mutarotase involved in non-phosphorylative pathway of L-fucose metabolism. Biochem.Biophys.Res.Commun., 528, 2020
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5N2W
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![BU of 5n2w by Molmil](/molmil-images/mine/5n2w) | WT-Parkin and pUB complex | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase parkin,E3 ubiquitin-protein ligase parkin, Polyubiquitin-B, ... | Authors: | Kumar, A, Chaugule, V.K, Johnson, C, Toth, R, Sundaramoorthy, R, Knebel, A, Walden, H. | Deposit date: | 2017-02-08 | Release date: | 2017-04-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Parkin-phosphoubiquitin complex reveals cryptic ubiquitin-binding site required for RBR ligase activity. Nat. Struct. Mol. Biol., 24, 2017
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7C08
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![BU of 7c08 by Molmil](/molmil-images/mine/7c08) | Crystal structure of S34Y mutant of yeast U2AF1 complex bound to 3' splice site RNA, 5'-UAGGU. | Descriptor: | RNA (5'-R(*U*UP*AP*GP*GP*U)-3'), Splicing factor U2AF 23 kDa subunit, Splicing factor U2AF 59 kDa subunit, ... | Authors: | Yoshida, H, Park, S.Y, Urano, T, Obayashi, E. | Deposit date: | 2020-04-30 | Release date: | 2020-09-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Elucidation of the aberrant 3' splice site selection by cancer-associated mutations on the U2AF1. Nat Commun, 11, 2020
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5NKA
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![BU of 5nka by Molmil](/molmil-images/mine/5nka) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2g | Descriptor: | 1,2-ETHANEDIOL, 4-[[3-[[5-[(2-chloranyl-6-methyl-phenyl)carbamoyl]-1,3-thiazol-2-yl]amino]phenyl]carbonylamino]cyclohexane-1-carboxylic acid, Ephrin type-A receptor 2 | Authors: | Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | Deposit date: | 2017-03-31 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.377 Å) | Cite: | Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors. ChemMedChem, 12, 2017
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5NKJ
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![BU of 5nkj by Molmil](/molmil-images/mine/5nkj) | X-ray structure of the N239C mutant of GLIC | Descriptor: | Proton-gated ion channel | Authors: | Hu, H, Fourati, Z, Delarue, M. | Deposit date: | 2017-03-31 | Release date: | 2018-06-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.74 Å) | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
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6TEP
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![BU of 6tep by Molmil](/molmil-images/mine/6tep) | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | Deposit date: | 2019-11-12 | Release date: | 2020-06-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides. Cell Chem Biol, 27, 2020
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6TBO
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![BU of 6tbo by Molmil](/molmil-images/mine/6tbo) | |
7C0E
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![BU of 7c0e by Molmil](/molmil-images/mine/7c0e) | |
6TBP
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![BU of 6tbp by Molmil](/molmil-images/mine/6tbp) | |
5N5E
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![BU of 5n5e by Molmil](/molmil-images/mine/5n5e) | |
7BQU
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![BU of 7bqu by Molmil](/molmil-images/mine/7bqu) | Cereblon in complex with SALL4 and (S)-thalidomide | Descriptor: | Protein cereblon, S-Thalidomide, Sal-like protein 4, ... | Authors: | Furihata, H, Miyauchi, Y, Asano, A, Tanokura, M, Miyakawa, T. | Deposit date: | 2020-03-25 | Release date: | 2020-08-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural bases of IMiD selectivity that emerges by 5-hydroxythalidomide. Nat Commun, 11, 2020
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6TBY
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![BU of 6tby by Molmil](/molmil-images/mine/6tby) | Phycocyanobilin-adducted PAS-GAF bidomain of Sorghum bicolor phyB | Descriptor: | BETA-MERCAPTOETHANOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Nagano, S, Guan, K, Shenkutie, S.M, Hughes, J.E. | Deposit date: | 2019-11-04 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into photoactivation and signalling in plant phytochromes. Nat.Plants, 6, 2020
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5N87
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![BU of 5n87 by Molmil](/molmil-images/mine/5n87) | TTK kinase domain in complex with NTRC 0066-0 | Descriptor: | 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ... | Authors: | Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-23 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5NN6
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![BU of 5nn6 by Molmil](/molmil-images/mine/5nn6) | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-hydroxyethyl-1-deoxynojirimycin | Descriptor: | (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roig-Zamboni, V, Cobucci-Ponzano, B, Iacono, R, Ferrara, M.C, Germany, S, Parenti, G, Bourne, Y, Moracci, M. | Deposit date: | 2017-04-08 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of human lysosomal acid alpha-glucosidase-a guide for the treatment of Pompe disease. Nat Commun, 8, 2017
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6TDF
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![BU of 6tdf by Molmil](/molmil-images/mine/6tdf) | Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 3 | Descriptor: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol, 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Raimi, O.G, Stanley, M, Lockhart, D. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Targeting a critical step in fungal hexosamine biosynthesis. J.Biol.Chem., 295, 2020
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5N8Q
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![BU of 5n8q by Molmil](/molmil-images/mine/5n8q) | Structure of truncated Norcoclaurine Synthase from Thalictrum flavum | Descriptor: | S-norcoclaurine synthase | Authors: | Sula, A, Lichman, B.R, Pesnot, T, Ward, J.M, Hailes, H.C, Keep, N.H. | Deposit date: | 2017-02-24 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Evidence for the Dopamine-First Mechanism of Norcoclaurine Synthase. Biochemistry, 56, 2017
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6TGI
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![BU of 6tgi by Molmil](/molmil-images/mine/6tgi) | Crystal structure of VIM-2 in complex with triazole-based inhibitor OP24 | Descriptor: | 5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazole-3-thiol, FORMIC ACID, Vim-1, ... | Authors: | Maso, L, Spirakis, F, Santucci, M, Simon, C, Docquier, J.D, Cruciani, G, Costi, M.P, Tondi, D, Cendron, L. | Deposit date: | 2019-11-15 | Release date: | 2020-10-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Virtual screening identifies broad-spectrum beta-lactamase inhibitors with activity on clinically relevant serine- and metallo-carbapenemases. Sci Rep, 10, 2020
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5NNJ
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![BU of 5nnj by Molmil](/molmil-images/mine/5nnj) | Dimer structure of Sortilin ectodomain crystal form 3, 4.0 Angstrom | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Sortilin, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Leloup, N.O.L, Janssen, B.J.C. | Deposit date: | 2017-04-09 | Release date: | 2017-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Low pH-induced conformational change and dimerization of sortilin triggers endocytosed ligand release. Nat Commun, 8, 2017
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6TDP
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![BU of 6tdp by Molmil](/molmil-images/mine/6tdp) | Crystal structure of the disulfide engineered HLA-A0201 molecule in complex with one GL dipeptide in the A pocket. | Descriptor: | Beta-2-microglobulin, GLYCEROL, GLYCINE, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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5N90
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![BU of 5n90 by Molmil](/molmil-images/mine/5n90) | Crystal Structure of Drosophila DHX36 helicase in complex with TTGTGGTGT | Descriptor: | CG9323, isoform A, DNA (5'-D(P*TP*TP*GP*TP*GP*GP*TP*GP*T)-3'), ... | Authors: | Chen, W.-F, Rety, S, Guo, H.-L, Wu, W.-Q, Liu, N.-N, Liu, Q.-W, Dai, Y.-X, Xi, X.-G. | Deposit date: | 2017-02-24 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.069 Å) | Cite: | Molecular Mechanistic Insights into Drosophila DHX36-Mediated G-Quadruplex Unfolding: A Structure-Based Model. Structure, 26, 2018
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6TDR
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![BU of 6tdr by Molmil](/molmil-images/mine/6tdr) | Crystal structure of the disulfide engineered HLA-A0201 molecule devoid of peptide (annealed) | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, MHC class I antigen, ... | Authors: | Anjanappa, R, Garcia Alai, M, Springer, S, Meijers, R. | Deposit date: | 2019-11-10 | Release date: | 2020-03-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of peptide-free and partially loaded MHC class I molecules reveal mechanisms of peptide selection. Nat Commun, 11, 2020
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5N9L
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![BU of 5n9l by Molmil](/molmil-images/mine/5n9l) | Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b) | Descriptor: | (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ... | Authors: | Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J. | Deposit date: | 2017-02-25 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors. Pharmaceuticals, 11, 2018
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7BVT
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![BU of 7bvt by Molmil](/molmil-images/mine/7bvt) | Crystal structure of cyclic alpha-maltosyl-1,6-maltose binding protein from Arthrobacter globiformis | Descriptor: | Hypothetical sugar ABC-transporter sugar binding protein, alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Kohno, M, Arakawa, T, Mori, T, Nishimoto, T, Fushinobu, S. | Deposit date: | 2020-04-11 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Molecular analysis of cyclic alpha-maltosyl-(1→6)-maltose binding protein in the bacterial metabolic pathway. Plos One, 15, 2020
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6TKG
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![BU of 6tkg by Molmil](/molmil-images/mine/6tkg) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - orthorhombic form at 12keV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Prothrombin, ... | Authors: | Calisto, B.M, Ripoll-Rozada, J, de Sanctis, D, Pereira, P.J.B. | Deposit date: | 2019-11-28 | Release date: | 2020-11-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Sulfotyrosine-Mediated Recognition of Human Thrombin by a Tsetse Fly Anticoagulant Mimics Physiological Substrates. Cell Chem Biol, 28, 2021
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6TBH
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![BU of 6tbh by Molmil](/molmil-images/mine/6tbh) | Structure of a beta galactosidase with inhibitor | Descriptor: | 5-[ethyl(methyl)amino]-~{N}-[6-[[(1~{S},2~{R},3~{S},4~{R})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide, ACETATE ION, Beta-galactosidase, ... | Authors: | Offen, W, Davies, G. | Deposit date: | 2019-11-01 | Release date: | 2020-08-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic Insights into the Chaperoning of Human Lysosomal-Galactosidase Activity: Highly Functionalized Aminocyclopentanes and C -5a-Substituted Derivatives of 4- epi -Isofagomine. Molecules, 25, 2020
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