6T53
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![BU of 6t53 by Molmil](/molmil-images/mine/6t53) | Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative | Descriptor: | (2~{S})-~{N}-[[4-(aminomethyl)phenyl]methyl]-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-p-benzylamine derivative To Be Published
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5UMN
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6K2O
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![BU of 6k2o by Molmil](/molmil-images/mine/6k2o) | Structural basis of glycan recognition in globally predominant human P[8] rotavirus | Descriptor: | Outer capsid protein VP4, SODIUM ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | Authors: | Duan, Z, Sun, X. | Deposit date: | 2019-05-15 | Release date: | 2019-10-09 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Structural Basis of Glycan Recognition in Globally Predominant Human P[8] Rotavirus. Virol Sin, 35, 2020
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6RG2
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![BU of 6rg2 by Molmil](/molmil-images/mine/6rg2) | Photorhabdus laumondii lectin PLL2 in complex with 3-O-methyl-D-glucose | Descriptor: | 3-O-methyl-alpha-D-glucopyranose, 3-O-methyl-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Houser, J, Fujdiarova, E, Wimmerova, M. | Deposit date: | 2019-04-16 | Release date: | 2020-07-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system. Febs J., 288, 2021
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6RGG
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![BU of 6rgg by Molmil](/molmil-images/mine/6rgg) | Photorhabdus laumondii lectin PLL2 in complex with O-methylated PGL-1-derived disaccharide | Descriptor: | 1,2-ETHANEDIOL, 3,6-O-dimethyl-D-glucose, 6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose, ... | Authors: | Houser, J, Fujdiarova, E, Wimmerova, M. | Deposit date: | 2019-04-16 | Release date: | 2020-07-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system. Febs J., 288, 2021
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8B3T
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![BU of 8b3t by Molmil](/molmil-images/mine/8b3t) | Hen Egg White Lysozyme 4s in situ crystallization | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | Deposit date: | 2022-09-16 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules. Iucrj, 10, 2023
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8B3U
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![BU of 8b3u by Molmil](/molmil-images/mine/8b3u) | Hen Egg White Lysozyme 6s in situ crystallization | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | Deposit date: | 2022-09-16 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules. Iucrj, 10, 2023
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8B3V
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![BU of 8b3v by Molmil](/molmil-images/mine/8b3v) | Hen Egg White Lysozyme 8s in situ crystallization | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | Deposit date: | 2022-09-16 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules. Iucrj, 10, 2023
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5FTT
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![BU of 5ftt by Molmil](/molmil-images/mine/5ftt) | Octameric complex of Latrophilin 3 (Lec, Olf) , Unc5D (Ig, Ig2, TSP1) and FLRT2 (LRR) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ADHESION G PROTEIN-COUPLED RECEPTOR L3, CALCIUM ION, ... | Authors: | Jackson, V.A, Mehmood, S, Chavent, M, Roversi, P, Carrasquero, M, del Toro, D, Seyit-Bremer, G, Ranaivoson, F.M, Comoletti, D, Sansom, M.S.P, Robinson, C.V, Klein, R, Seiradake, E. | Deposit date: | 2016-01-15 | Release date: | 2016-05-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Super-Complexes of Adhesion Gpcrs and Neural Guidance Receptors Nat.Commun., 7, 2016
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6RU2
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![BU of 6ru2 by Molmil](/molmil-images/mine/6ru2) | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-glucuronoyl methylesterase, ... | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | Deposit date: | 2019-05-27 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates. Nat Commun, 11, 2020
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8BPY
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![BU of 8bpy by Molmil](/molmil-images/mine/8bpy) | X-RAY STRUCTURE OF PDE9A IN COMPLEX WITH Inhibitor 13A | Descriptor: | (8~{S})-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]-4-(4-methylphenyl)-2-oxidanylidene-8-propyl-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Steuber, H. | Deposit date: | 2022-11-18 | Release date: | 2022-12-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | BAY-7081: A Potent, Selective, and Orally Bioavailable Cyanopyridone-Based PDE9A Inhibitor. J.Med.Chem., 65, 2022
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6TG8
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![BU of 6tg8 by Molmil](/molmil-images/mine/6tg8) | Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop) | Descriptor: | Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN | Authors: | Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D. | Deposit date: | 2019-11-15 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process. J.Biomol.Struct.Dyn., 39, 2021
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5E9N
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![BU of 5e9n by Molmil](/molmil-images/mine/5e9n) | Steccherinum murashkinskyi laccase at 0.95 resolution | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | Authors: | Polyakov, K.M, Glazunova, O.A, Fedorova, T.V, Koroleva, O.V. | Deposit date: | 2015-10-15 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structure-function study of two new middle-redox potential laccases from basidiomycetes Antrodiella faginea and Steccherinum murashkinskyi. Int. J. Biol. Macromol., 118, 2018
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6T3M
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![BU of 6t3m by Molmil](/molmil-images/mine/6t3m) | Thrombin in Complex with a D-Phe-Pro-p-phenol derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, ... | Authors: | Ngo, K, Collins, C, Heine, A, Klebe, G. | Deposit date: | 2019-10-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-p-phenol derivative To Be Published
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8B3L
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![BU of 8b3l by Molmil](/molmil-images/mine/8b3l) | Hen Egg White Lysozyme 2s in situ crystallization | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Henkel, A, Galchenkova, M, Yefanov, O, Hakanpaeae, J, Chapman, H.N, Oberthuer, D. | Deposit date: | 2022-09-16 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | JINXED: just in time crystallization for easy structure determination of biological macromolecules. Iucrj, 10, 2023
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6T54
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![BU of 6t54 by Molmil](/molmil-images/mine/6t54) | Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-2-bromothiophene Derivative To Be Published
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6T52
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![BU of 6t52 by Molmil](/molmil-images/mine/6t52) | Thrombin in Complex with a D-Phe-Pro-imidazole derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Abazi, N, Heine, A, Klebe, G. | Deposit date: | 2019-10-15 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Thrombin in Complex with a D-Phe-Pro-imidazole derivative To Be Published
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8A1F
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![BU of 8a1f by Molmil](/molmil-images/mine/8a1f) | Human PTPRK N-terminal domains MAM-Ig-FN1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hay, I.M, Graham, S.C, Sharpe, H.J, Deane, J.E. | Deposit date: | 2022-06-01 | Release date: | 2023-03-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Determinants of receptor tyrosine phosphatase homophilic adhesion: Structural comparison of PTPRK and PTPRM extracellular domains. J.Biol.Chem., 299, 2023
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7ZTF
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![BU of 7ztf by Molmil](/molmil-images/mine/7ztf) | Penicillium expansum antifungal protein B | Descriptor: | Antifungal protein, CHLORIDE ION, SODIUM ION | Authors: | Gallego del Sol, F, Marina, A, Manzanares, P, Marcos, J.F, Giner Llorca, M. | Deposit date: | 2022-05-10 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Rationally designed antifungal protein chimeras reveal new insights into structure-activity relationship. Int.J.Biol.Macromol., 225, 2023
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7ZX4
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![BU of 7zx4 by Molmil](/molmil-images/mine/7zx4) | Clathrin N-terminal domain in complex with a HURP phospho-peptide | Descriptor: | CHLORIDE ION, Clathrin heavy chain 1, Disks large-associated protein 5, ... | Authors: | Kliche, J, Badgujar, D, Dobritzsch, D, Ivarsson, Y. | Deposit date: | 2022-05-20 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Large-scale phosphomimetic screening identifies phospho-modulated motif-based protein interactions. Mol.Syst.Biol., 19, 2023
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7ZS8
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![BU of 7zs8 by Molmil](/molmil-images/mine/7zs8) | Mixed-valence, active form, of cytochrome c peroxidase from obligate human pathogenic bacterium Neisseria gonorrhoeae at 1.4 Angstrom resolution | Descriptor: | CALCIUM ION, Cytochrome-c peroxidase, HEME C, ... | Authors: | Carvalho, A.L, Romao, M.J, Pauleta, S, Nobrega, C. | Deposit date: | 2022-05-06 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Characterization of Neisseria gonorrhoeae Bacterial Peroxidase-Insights into the Catalytic Cycle of Bacterial Peroxidases. Int J Mol Sci, 24, 2023
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7ZJB
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![BU of 7zjb by Molmil](/molmil-images/mine/7zjb) | Structural and functional characterization of the bacterial lytic polysaccharide Monooxygenase ScLPMO10D | Descriptor: | COPPER (II) ION, Putative secreted cellulose-binding protein, SODIUM ION, ... | Authors: | Votvik, A.K, Rohr, A.K, Stepnov, A.A, Bissaro, B, Sorlie, M, Eijsink, V.G.H, Forsberg, Z. | Deposit date: | 2022-04-10 | Release date: | 2023-04-19 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural and functional characterization of the catalytic domain of a cell-wall anchored bacterial lytic polysaccharide monooxygenase from Streptomyces coelicolor. Sci Rep, 13, 2023
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6TP0
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![BU of 6tp0 by Molmil](/molmil-images/mine/6tp0) | |
5HCH
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![BU of 5hch by Molmil](/molmil-images/mine/5hch) | X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair | Descriptor: | (6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol, CALCIUM ION, DNA (5'-D(*CP*GP*CP*AP*TP*TP*(DF)P*TP*AP*TP*CP*GP*C)-3'), ... | Authors: | Roethlisberger, P, Istrate, A, Marcaida Lopez, M.J, Visini, R, Stocker, A, Leumann, C.J. | Deposit date: | 2016-01-04 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | X-ray structure of a lectin-bound DNA duplex containing an unnatural phenanthrenyl pair. Chem.Commun.(Camb.), 52, 2016
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6TSQ
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![BU of 6tsq by Molmil](/molmil-images/mine/6tsq) | Marasmius oreades agglutinin (MOA) activated by manganese (II) | Descriptor: | 1,2-ETHANEDIOL, Agglutinin, CALCIUM ION, ... | Authors: | Cordara, G, Manna, D, Krengel, U. | Deposit date: | 2019-12-21 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of MOA in complex with a peptide fragment: A protease caught in flagranti . Curr Res Struct Biol, 2, 2020
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