7B2W
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![BU of 7b2w by Molmil](/molmil-images/mine/7b2w) | Torpedo californica acetylcholinesterase complexed with UO2 | Descriptor: | Acetylcholinesterase, URANYL (VI) ION | Authors: | Silman, I, Shnyrov, V.L, Ashani, Y, Roth, E, Nicolas, A, Sussman, J.L, Weiner, L. | Deposit date: | 2020-11-28 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Torpedo californica acetylcholinesterase is stabilized by binding of a divalent metal ion to a novel and versatile 4D motif. Protein Sci., 30, 2021
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4XS0
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![BU of 4xs0 by Molmil](/molmil-images/mine/4xs0) | Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus | Descriptor: | CHLORIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. | Deposit date: | 2015-01-21 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native alpha-globin haem pocket. Acta Crystallogr.,Sect.D, 71, 2015
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5MXQ
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![BU of 5mxq by Molmil](/molmil-images/mine/5mxq) | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor | Descriptor: | 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... | Authors: | Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. | Deposit date: | 2017-01-24 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
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4XZD
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![BU of 4xzd by Molmil](/molmil-images/mine/4xzd) | Crystal Structure of Wild-type HasA from Yersinia pseudotuberculosis | Descriptor: | Extracellular heme acquisition hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kanadani, M, Hino, T, Nagano, S, Sato, T, Ozaki, S. | Deposit date: | 2015-02-04 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structure of heme acquisition system A from Yersinia pseudotuberculosis (HasAypt): Roles of the axial ligand Tyr75 and two distal arginines in heme binding J.Inorg.Biochem., 151, 2015
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5MS4
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![BU of 5ms4 by Molmil](/molmil-images/mine/5ms4) | Kallikrein-related peptidase 8 leupeptin inhibitor complex | Descriptor: | CALCIUM ION, Kallikrein-8, LEUPEPTIN, ... | Authors: | Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P. | Deposit date: | 2016-12-30 | Release date: | 2018-01-17 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin. Sci Rep, 8, 2018
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5GLT
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![BU of 5glt by Molmil](/molmil-images/mine/5glt) | Tl-gal with LNT | Descriptor: | Galectin, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Jang, S.B, Hwang, E.Y. | Deposit date: | 2016-07-12 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin J. Biol. Chem., 291, 2016
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5GM0
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![BU of 5gm0 by Molmil](/molmil-images/mine/5gm0) | Tl-gal with lactose | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin | Authors: | Hwang, E.Y. | Deposit date: | 2016-07-12 | Release date: | 2016-11-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin J. Biol. Chem., 291, 2016
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5GLV
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![BU of 5glv by Molmil](/molmil-images/mine/5glv) | Tl-gal | Descriptor: | galectin | Authors: | Jang, S.B, Hwang, E.Y. | Deposit date: | 2016-07-12 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin J. Biol. Chem., 291, 2016
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5GMB
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![BU of 5gmb by Molmil](/molmil-images/mine/5gmb) | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruiginosa | Descriptor: | tRNA (cytidine/uridine-2'-O-)-methyltransferase TrmJ | Authors: | Jaroensuk, J, Atichartpongkul, S, Chionh, Y.H, Wong, Y.H, Liew, C.W, McBee, M.E, Thongdee, N, Prestwich, E.G, DeMott, M.S, Mongkolsuk, S, Dedon, P.C, Lescar, J, Fuangthong, M. | Deposit date: | 2016-07-13 | Release date: | 2016-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Methylation at position 32 of tRNA catalyzed by TrmJ alters oxidative stress response in Pseudomonas aeruginosa. Nucleic Acids Res., 44, 2016
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6SYK
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![BU of 6syk by Molmil](/molmil-images/mine/6syk) | Guanine-rich oligonucleotide with 5'- and 3'-GC ends form G-quadruplex with A(GGGG)A hexad, GCGC- and G-quartets and two symmetric GG and AA base pair | Descriptor: | GCnCG | Authors: | Pavc, D, Wang, B, Spindler, L, Drevensek-Olenik, I, Plavec, J, Sket, P. | Deposit date: | 2019-09-30 | Release date: | 2020-07-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | GC ends control topology of DNA G-quadruplexes and their cation-dependent assembly. Nucleic Acids Res., 48, 2020
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4XYB
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![BU of 4xyb by Molmil](/molmil-images/mine/4xyb) | GRANULICELLA M. FORMATE DEHYDROGENASE (FDH) IN COMPLEX WITH NADP(+) AND NaN3 | Descriptor: | 1,2-ETHANEDIOL, AZIDE ION, Formate dehydrogenase, ... | Authors: | Cendron, L, Fogal, S, Beneventi, E, Bergantino, E. | Deposit date: | 2015-02-02 | Release date: | 2015-07-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structural basis for double cofactor specificity in a new formate dehydrogenase from the acidobacterium Granulicella mallensis MP5ACTX8. Appl.Microbiol.Biotechnol., 99, 2015
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6IYK
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![BU of 6iyk by Molmil](/molmil-images/mine/6iyk) | The structure of EntE with 2-nitrobenzoyl adenylate analog | Descriptor: | 2,3-dihydroxybenzoate-AMP ligase component of enterobactin synthase multienzyme complex, 5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine | Authors: | Miyanaga, A, Ishikawa, F. | Deposit date: | 2018-12-17 | Release date: | 2019-04-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | An Engineered Aryl Acid Adenylation Domain with an Enlarged Substrate Binding Pocket. Angew.Chem.Int.Ed.Engl., 58, 2019
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7B73
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![BU of 7b73 by Molmil](/molmil-images/mine/7b73) | Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | Deposit date: | 2020-12-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. Febs J., 288, 2021
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6T0M
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![BU of 6t0m by Molmil](/molmil-images/mine/6t0m) | Cationic Trypsin in Complex with a D-Phe-Pro-diaminopyridine derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... | Authors: | Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-10-03 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
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5MTU
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![BU of 5mtu by Molmil](/molmil-images/mine/5mtu) | Maltodextrin binding protein MalE1 from L. casei BL23 bound to alpha-cyclodextrin | Descriptor: | Cyclohexakis-(1-4)-(alpha-D-glucopyranose), MalE1 | Authors: | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | Deposit date: | 2017-01-10 | Release date: | 2017-07-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.999 Å) | Cite: | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr. Mol. Microbiol., 105, 2017
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6T0Q
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![BU of 6t0q by Molmil](/molmil-images/mine/6t0q) | Pleurotus Ostreatus Lectin (POL), apo form | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Destefanis, L, Perduca, M, Bovi, M, Monaco, H.L, Capaldi, S. | Deposit date: | 2019-10-03 | Release date: | 2020-02-19 | Last modified: | 2022-12-07 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure and properties of the oyster mushroom (Pleurotus ostreatus) lectin. Glycobiology, 30, 2020
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5MW3
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![BU of 5mw3 by Molmil](/molmil-images/mine/5mw3) | Crystal structure of Dot1L in complex with inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] and inhibitor CPD2 [(R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine] | Descriptor: | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Be, C, Koch, E, Gaul, C, Stauffer, F, Moebitz, H, Scheufler, C. | Deposit date: | 2017-01-18 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett, 8, 2017
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6J8H
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![BU of 6j8h by Molmil](/molmil-images/mine/6j8h) | Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ... | Authors: | Shen, H, Liu, D, Lei, J, Yan, N. | Deposit date: | 2019-01-19 | Release date: | 2019-02-27 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins. Science, 363, 2019
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5GZV
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![BU of 5gzv by Molmil](/molmil-images/mine/5gzv) | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase, PHOSPHATE ION | Authors: | Itoh, T, Hibi, T, Suzuki, F, Sugimoto, I, Fujiwara, A, Inaka, K, Tanaka, H, Ohta, K, Fujii, Y, Taketo, A, Kimoto, H. | Deposit date: | 2016-10-01 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Crystal Structure of Chitinase ChiW from Paenibacillus sp. str. FPU-7 Reveals a Novel Type of Bacterial Cell-Surface-Expressed Multi-Modular Enzyme Machinery PLoS ONE, 11, 2016
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5GVA
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![BU of 5gva by Molmil](/molmil-images/mine/5gva) | WD40 domain of human AND-1 | Descriptor: | WD repeat and HMG-box DNA-binding protein 1 | Authors: | Guan, C.C, Li, J. | Deposit date: | 2016-09-04 | Release date: | 2017-04-19 | Last modified: | 2017-06-21 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | The structure and polymerase-recognition mechanism of the crucial adaptor protein AND-1 in the human replisome J. Biol. Chem., 292, 2017
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5MXR
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![BU of 5mxr by Molmil](/molmil-images/mine/5mxr) | Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-330 Inhibitor | Descriptor: | 5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ... | Authors: | Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S. | Deposit date: | 2017-01-24 | Release date: | 2018-03-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model. Acs Infect Dis., 5, 2019
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6SWZ
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![BU of 6swz by Molmil](/molmil-images/mine/6swz) | |
6SY3
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![BU of 6sy3 by Molmil](/molmil-images/mine/6sy3) | Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | Authors: | Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2019-09-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
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5H52
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![BU of 5h52 by Molmil](/molmil-images/mine/5h52) | Structure of Titanium-bound human serum transferrin | Descriptor: | CITRIC ACID, MALONATE ION, Serotransferrin, ... | Authors: | Curtin, J.P, Wang, M, Sun, H. | Deposit date: | 2016-11-04 | Release date: | 2017-11-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The role of citrate, lactate and transferrin in determining titanium release from surgical devices into human serum. J. Biol. Inorg. Chem., 23, 2018
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6J38
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![BU of 6j38 by Molmil](/molmil-images/mine/6j38) | Crystal structure of CmiS2 | Descriptor: | FAD-dependent glycine oxydase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Kawasaki, D, Chisuga, T, Miyanaga, A, Kudo, F, Eguchi, T. | Deposit date: | 2019-01-04 | Release date: | 2019-06-12 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of the Glycine Oxidase Homologue CmiS2 Reveals a Unique Substrate Recognition Mechanism for Formation of a beta-Amino Acid Starter Unit in Cremimycin Biosynthesis. Biochemistry, 58, 2019
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