7NWN
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![BU of 7nwn by Molmil](/molmil-images/mine/7nwn) | A carbohydrate binding module family 9 (CBM9) from Caldicellulsiruptor kristjanssonii | Descriptor: | 1,2-ETHANEDIOL, Beta-xylanase, CALCIUM ION, ... | Authors: | Krska, D, Mazurkewich, S, Navarro Poulsen, J, Larsbrink, J, Lo Leggio, L. | Deposit date: | 2021-03-17 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii . Biochemistry, 60, 2021
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7OGL
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![BU of 7ogl by Molmil](/molmil-images/mine/7ogl) | A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. apo-PNPase | Descriptor: | Polyribonucleotide nucleotidyltransferase | Authors: | Dendooven, T, Sinha, D, Roesoleva, A, Cameron, T.A, De Lay, N, Luisi, B.F, Bandyra, K. | Deposit date: | 2021-05-06 | Release date: | 2021-07-07 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A cooperative PNPase-Hfq-RNA carrier complex facilitates bacterial riboregulation. Mol.Cell, 81, 2021
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7NT8
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![BU of 7nt8 by Molmil](/molmil-images/mine/7nt8) | Influenza virus H3N2 nucleoprotein - R416A mutant | Descriptor: | Glutathione S-transferase class-mu 26 kDa isozyme,Nucleoprotein | Authors: | Keown, J.R, Knight, M.L, Grimes, J.M, Fodor, E. | Deposit date: | 2021-03-09 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure of an H3N2 influenza virus nucleoprotein. Acta Crystallogr.,Sect.F, 77, 2021
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7OG5
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4W6E
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![BU of 4w6e by Molmil](/molmil-images/mine/4w6e) | Human Tankyrase 1 with small molecule inhibitor | Descriptor: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one, Tankyrase-1, ZINC ION | Authors: | Kazmirski, S.L, Johannes, J, Boriack-Sjodin, P.A, Howard, T. | Deposit date: | 2014-08-20 | Release date: | 2015-05-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pyrimidinone nicotinamide mimetics as selective tankyrase and wnt pathway inhibitors suitable for in vivo pharmacology. Acs Med.Chem.Lett., 6, 2015
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7OCM
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![BU of 7ocm by Molmil](/molmil-images/mine/7ocm) | K1K1H6, a potent recombinant minimal hepatocyte growth factor/scatter factor mimic | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Hepatocyte growth factor alpha chain,Hepatocyte growth factor alpha chain | Authors: | de Jonge, H, de Nola, G, Gherardi, E. | Deposit date: | 2021-04-27 | Release date: | 2021-07-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Dimerization of kringle 1 domain from hepatocyte growth factor/scatter factor provides a potent MET receptor agonist. Life Sci Alliance, 5, 2022
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7OBP
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7OIL
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![BU of 7oil by Molmil](/molmil-images/mine/7oil) | mPI3Kd in complex with compound 58 | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OI4
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![BU of 7oi4 by Molmil](/molmil-images/mine/7oi4) | mPI3Kd in complex with compound 12 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7O9J
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![BU of 7o9j by Molmil](/molmil-images/mine/7o9j) | Crystal structure of DyP-type peroxidase from Dictyostelium discoideum in complex with an activated form of oxygen | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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7O9L
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![BU of 7o9l by Molmil](/molmil-images/mine/7o9l) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with cyanide. | Descriptor: | 1,2-ETHANEDIOL, CYANIDE ION, DyPA, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-16 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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3JZI
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![BU of 3jzi by Molmil](/molmil-images/mine/3jzi) | Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazole series | Descriptor: | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide, Biotin carboxylase | Authors: | Cheng, C, Shipps, G.W, Yang, Z, Sun, B, Kawahata, N, Soucy, K, Soriano, A, Orth, P, Xiao, L, Mann, P, Black, T. | Deposit date: | 2009-09-23 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Discovery and optimization of antibacterial AccC inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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7ODZ
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![BU of 7odz by Molmil](/molmil-images/mine/7odz) | Dictyostelium discoideum dye decolorizing peroxidase DyPA in complex with an activated form of oxygen and veratryl alcohol | Descriptor: | 1,2-ETHANEDIOL, DyPA, OXYGEN MOLECULE, ... | Authors: | Rai, A, Fedorov, R, Manstein, D.J. | Deposit date: | 2021-04-30 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of a Dye-Decolorizing Peroxidase from Dictyostelium discoideum . Int J Mol Sci, 22, 2021
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7OIS
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![BU of 7ois by Molmil](/molmil-images/mine/7ois) | mPI3Kd in complex with compound 7 | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | Authors: | Petersen, J. | Deposit date: | 2021-05-12 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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7OEO
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7OCL
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7OEP
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![BU of 7oep by Molmil](/molmil-images/mine/7oep) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, ... | Authors: | Chung, C. | Deposit date: | 2021-05-03 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit. J.Med.Chem., 64, 2021
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7OES
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![BU of 7oes by Molmil](/molmil-images/mine/7oes) | C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | Authors: | Chung, C. | Deposit date: | 2021-05-03 | Release date: | 2021-07-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of a Highly Selective BET BD2 Inhibitor from a DNA-Encoded Library Technology Screening Hit. J.Med.Chem., 64, 2021
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7OIJ
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![BU of 7oij by Molmil](/molmil-images/mine/7oij) | mPI3Kd in complex with an inhibitor | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | Authors: | Petersen, J. | Deposit date: | 2021-05-11 | Release date: | 2021-07-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma. J.Med.Chem., 64, 2021
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5IYX
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3BNH
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![BU of 3bnh by Molmil](/molmil-images/mine/3bnh) | W. succinogenes NrfA Y218F Nitrite Complex | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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3K4Q
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![BU of 3k4q by Molmil](/molmil-images/mine/3k4q) | Aspergillus niger Phytase in complex with myo-inositol hexakis sulfate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-phytase A, D-MYO-INOSITOL-HEXASULPHATE | Authors: | Oakley, A.J. | Deposit date: | 2009-10-06 | Release date: | 2010-06-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structure of Aspergillus niger phytase PhyA in complex with a phytate mimetic Biochem.Biophys.Res.Commun., 397, 2010
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4UYW
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4UZ9
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![BU of 4uz9 by Molmil](/molmil-images/mine/4uz9) | STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM VII - SOS COMPLEX - 2.2A | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Zebisch, M, Jones, E.Y. | Deposit date: | 2014-09-04 | Release date: | 2015-02-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Notum Deacylates Wnt Proteins to Suppress Signalling Activity. Nature, 519, 2015
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3BNJ
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![BU of 3bnj by Molmil](/molmil-images/mine/3bnj) | W. succinogenes NrfA Y218F Sulfite Complex | Descriptor: | ACETATE ION, CALCIUM ION, Cytochrome c-552, ... | Authors: | Lukat, P, Einsle, O. | Deposit date: | 2007-12-14 | Release date: | 2008-02-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Binding and Reduction of Sulfite by Cytochrome c Nitrite Reductase Biochemistry, 47, 2008
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