2VDD
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![BU of 2vdd by Molmil](/molmil-images/mine/2vdd) | Crystal Structure of the Open State of TolC Outer Membrane Component of Mutlidrug Efflux Pumps | Descriptor: | CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC, POTASSIUM ION | Authors: | Bavro, V.N, Pietras, Z, Furnham, N, Perez-Cano, L, Fernandez-Recio, J, Pei, X.Y, Truer, R, Misra, R, Luisi, B. | Deposit date: | 2007-10-04 | Release date: | 2008-04-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Assembly and Channel Opening in a Bacterial Drug Efflux Machine. Mol.Cell, 30, 2008
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4ZYQ
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2UZH
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![BU of 2uzh by Molmil](/molmil-images/mine/2uzh) | Mycobacterium smegmatis 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase (IspF) | Descriptor: | 1,2-ETHANEDIOL, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNTHASE, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Buetow, L, Brown, A.C, Parish, T, Hunter, W.N. | Deposit date: | 2007-04-27 | Release date: | 2007-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of Mycobacteria 2C-Methyl-D-Erythritol-2,4-Cyclodiphosphate Synthase, an Essential Enzyme, Provides a Platform for Drug Discovery. Bmc Struct.Biol., 7, 2007
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5WHS
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![BU of 5whs by Molmil](/molmil-images/mine/5whs) | Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.6 A | Descriptor: | Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Diaz-Vilchis, A, Vega-Garcia, V, Rudino-Pinera, E, Hansberg, W. | Deposit date: | 2017-07-18 | Release date: | 2018-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure, kinetics, molecular and redox properties of a cytosolic and developmentally regulated fungal catalase-peroxidase. Arch. Biochem. Biophys., 640, 2018
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5A2C
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![BU of 5a2c by Molmil](/molmil-images/mine/5a2c) | Crystal Structure of Anoxybacillus Alpha-amylase Provides Insights into a New Glycosyl Hydrolase Subclass | Descriptor: | ALPHA-AMYLASE, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Ng, C.L, Chai, K.P, Othman, N.F, Teh, A.H, Ho, K.L, Chan, K.G, Goh, K.M. | Deposit date: | 2015-05-17 | Release date: | 2016-03-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Anoxybacillus Alpha-Amylase Provides Insights Into Maltose Binding of a New Glycosyl Hydrolase Subclass. Sci.Rep., 6, 2016
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2NWD
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5A6V
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![BU of 5a6v by Molmil](/molmil-images/mine/5a6v) | Open and closed conformations and protonation states of Candida antarctica Lipase B: Xenon complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ISOPROPYL ALCOHOL, LIPASE B, ... | Authors: | Stauch, B, Fisher, S.J, Cianci, M. | Deposit date: | 2015-07-01 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Open and Closed States of Candida Antarctica Lipase B: Protonation and the Mechanism of Interfacial Activation. J.Lipid Res., 56, 2015
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5WUQ
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![BU of 5wuq by Molmil](/molmil-images/mine/5wuq) | Crystal structure of SigW in complex with its anti-sigma RsiW, a zinc binding form | Descriptor: | Anti-sigma-W factor RsiW, ECF RNA polymerase sigma factor SigW, ZINC ION | Authors: | Devkota, S.R, Kwon, E, Ha, S.C, Kim, D.Y. | Deposit date: | 2016-12-20 | Release date: | 2017-03-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the regulation of Bacillus subtilis SigW activity by anti-sigma RsiW PLoS ONE, 12, 2017
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5A7M
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![BU of 5a7m by Molmil](/molmil-images/mine/5a7m) | The structure of Hypocrea jecorina beta-xylosidase Xyl3A (Bxl1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Mikkelsen, N.E, Gudmundsson, M, Karkehabadi, S, Hansson, H, Sandgren, M, Larenas, E, Mitchinson, C, Keleman, B, Kaper, T. | Deposit date: | 2015-07-08 | Release date: | 2016-08-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Th Crystal Structure of a Fungal Glycoside Hydrolase Family 3 Beta-Xylosidase, Xyl3A from Hypocrea Jecorina To be Published
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6TRY
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![BU of 6try by Molmil](/molmil-images/mine/6try) | Crystal structure of human Aldehyde dehydrogenase 1A3 in complex with MF13 inhibitor compound | Descriptor: | 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | Authors: | Gelardi, E.L.M, Garavaglia, S. | Deposit date: | 2019-12-19 | Release date: | 2021-01-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Progress in the Field of Aldehyde Dehydrogenase Inhibitors: Novel Imidazo[1,2- a ]pyridines against the 1A Family. Acs Med.Chem.Lett., 11, 2020
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5WZO
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![BU of 5wzo by Molmil](/molmil-images/mine/5wzo) | Crystal structure of human secreted phospholipase A2 group IIE, crystallized with calcium | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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5WZU
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![BU of 5wzu by Molmil](/molmil-images/mine/5wzu) | Crystal structure of human secreted phospholipase A2 group IIE with Compound 24 | Descriptor: | 2-[2-methyl-3-oxamoyl-1-[[2-(trifluoromethyl)phenyl]methyl]indol-4-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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5ABG
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![BU of 5abg by Molmil](/molmil-images/mine/5abg) | Structure of GH84 with ligand | Descriptor: | 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ... | Authors: | Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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6TSK
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![BU of 6tsk by Molmil](/molmil-images/mine/6tsk) | Beta-galactosidase in complex with L-ribose | Descriptor: | Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose | Authors: | Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A. | Deposit date: | 2019-12-20 | Release date: | 2020-01-08 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Fragment-based drug discovery using cryo-EM. Drug Discov Today, 25, 2020
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6TTJ
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![BU of 6ttj by Molmil](/molmil-images/mine/6ttj) | Neutral invertase 2 from Arabidopsis thaliana | Descriptor: | Alkaline/neutral invertase CINV1 | Authors: | Tsirkone, V.G, Osipov, E.M, Beelen, S, Strelkov, S.V. | Deposit date: | 2019-12-27 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.392 Å) | Cite: | Crystal structure of Arabidopsis thaliana neutral invertase 2. Acta Crystallogr.,Sect.F, 76, 2020
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5WZW
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![BU of 5wzw by Molmil](/molmil-images/mine/5wzw) | Crystal structure of human secreted phospholipase A2 group IIE with LY311727 | Descriptor: | (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethyl-1H-indol-5-yl]oxy}propyl)phosphonic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Hou, S, Xu, J, Xu, T, Liu, J. | Deposit date: | 2017-01-18 | Release date: | 2018-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for functional selectivity and ligand recognition revealed by crystal structures of human secreted phospholipase A2 group IIE Sci Rep, 7, 2017
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7BZV
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2P4F
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7BGC
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![BU of 7bgc by Molmil](/molmil-images/mine/7bgc) | human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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: | Nachon, F, Salerno, A, Bolognesi, M.L. | Deposit date: | 2021-01-06 | Release date: | 2021-04-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Sustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease. J.Med.Chem., 64, 2021
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7C1E
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![BU of 7c1e by Molmil](/molmil-images/mine/7c1e) | Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant (Y127W) | Descriptor: | Epimerase domain-containing protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Wu, Y.F, Zhou, J.Y, Liu, Y.F, Xu, G.C, Ni, Y. | Deposit date: | 2020-05-03 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Engineering an Alcohol Dehydrogenase from Kluyveromyces polyspora for Efficient Synthesis of Ibrutinib Intermediate Adv.Synth.Catal., 2021
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2P7P
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![BU of 2p7p by Molmil](/molmil-images/mine/2p7p) | Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes complexed with MN(II) and sulfate ion | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION, SULFATE ION | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
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2OTZ
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2AZK
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![BU of 2azk by Molmil](/molmil-images/mine/2azk) | Crystal structure for the mutant W136E of Sulfolobus solfataricus hexaprenyl pyrophosphate synthase | Descriptor: | Geranylgeranyl pyrophosphate synthetase | Authors: | Sun, H.Y, Ko, T.P, Kuo, C.J, Guo, R.T, Chou, C.C, Liang, P.H, Wang, A.H.J. | Deposit date: | 2005-09-12 | Release date: | 2006-03-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Homodimeric hexaprenyl pyrophosphate synthase from the thermoacidophilic crenarchaeon Sulfolobus solfataricus displays asymmetric subunit structures J.Bacteriol., 187, 2005
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2AZT
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![BU of 2azt by Molmil](/molmil-images/mine/2azt) | Crystal structure of H176N mutant of human Glycine N-Methyltransferase | Descriptor: | BETA-MERCAPTOETHANOL, CHLORIDE ION, CITRIC ACID, ... | Authors: | Luka, Z, Pakhomova, S, Luka, Y, Newcomer, M.E, Wagner, C. | Deposit date: | 2005-09-12 | Release date: | 2006-09-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Destabilization of human glycine N-methyltransferase by H176N mutation. Protein Sci., 16, 2007
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7C24
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![BU of 7c24 by Molmil](/molmil-images/mine/7c24) | Glycosidase F290Y at pH8.0 | Descriptor: | AMMONIUM ION, GLYCEROL, Isomaltose glucohydrolase | Authors: | Tagami, T, Kikuchi, A, Okuyama, M, Kimura, A. | Deposit date: | 2020-05-07 | Release date: | 2021-05-12 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structural insights reveal the second base catalyst of isomaltose glucohydrolase. Febs J., 289, 2022
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