4M54
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![BU of 4m54 by Molmil](/molmil-images/mine/4m54) | The structure of the staphyloferrin B precursor biosynthetic enzyme SbnB bound to N-(1-amino-1-carboxyl-2-ethyl)-glutamic acid and NADH | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid, ... | Authors: | Kobylarz, M.J, Murphy, M.E.P. | Deposit date: | 2013-08-07 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Synthesis of L-2,3-diaminopropionic acid, a siderophore and antibiotic precursor. Chem.Biol., 21, 2014
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5Y8M
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![BU of 5y8m by Molmil](/molmil-images/mine/5y8m) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + (R)-3-hydroxyisobutyrate (R-HIBA) | Descriptor: | (2R)-3-HYDROXY-2-METHYLPROPANOIC ACID, (2~{S})-2-methylpentanedioic acid, ACRYLIC ACID, ... | Authors: | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | Deposit date: | 2017-08-21 | Release date: | 2018-07-11 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
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3EFV
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![BU of 3efv by Molmil](/molmil-images/mine/3efv) | Crystal Structure of a Putative Succinate-Semialdehyde Dehydrogenase from Salmonella typhimurium LT2 with bound NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative succinate-semialdehyde dehydrogenase | Authors: | Brunzelle, J.S, Evdokimova, E, Kudritska, M, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2008-09-10 | Release date: | 2008-11-04 | Last modified: | 2013-06-12 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and activity of the NAD(P)(+) -dependent succinate semialdehyde dehydrogenase YneI from Salmonella typhimurium. Proteins, 81, 2013
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2J6I
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6AA5
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![BU of 6aa5 by Molmil](/molmil-images/mine/6aa5) | Crystal structure of MTH1 in complex with 3-isomangostin | Descriptor: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, 7,8-dihydro-8-oxoguanine triphosphatase, SULFATE ION, ... | Authors: | Yokoyama, T, Kitakami, R, Mizuguchi, M. | Deposit date: | 2018-07-17 | Release date: | 2019-03-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Discovery of a new class of MTH1 inhibitor by X-ray crystallographic screening. Eur J Med Chem, 167, 2019
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4PZC
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4LYM
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6ACF
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![BU of 6acf by Molmil](/molmil-images/mine/6acf) | structure of leucine dehydrogenase from Geobacillus stearothermophilus by cryo-EM | Descriptor: | Leucine dehydrogenase | Authors: | Yamaguchi, H, Kamegawa, A, Nakata, K, Kashiwagi, T, Mizukoshi, T, Fujiyoshi, Y, Tani, K. | Deposit date: | 2018-07-26 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural insights into thermostabilization of leucine dehydrogenase from its atomic structure by cryo-electron microscopy J. Struct. Biol., 205, 2019
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2J75
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![BU of 2j75 by Molmil](/molmil-images/mine/2j75) | Beta-glucosidase from Thermotoga maritima in complex with noeuromycin | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Meloncelli, P, Stick, R.V, Zechel, D, Davies, G.J. | Deposit date: | 2006-10-06 | Release date: | 2006-12-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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4LYT
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2J8G
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6GPA
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![BU of 6gpa by Molmil](/molmil-images/mine/6gpa) | Beta-1,4-galactanase from Bacteroides thetaiotaomicron with galactose | Descriptor: | Arabinogalactan endo-beta-1,4-galactanase, beta-D-galactopyranose | Authors: | Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L. | Deposit date: | 2018-06-05 | Release date: | 2018-12-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides. J. Struct. Biol., 205, 2019
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4PZE
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3IJ7
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![BU of 3ij7 by Molmil](/molmil-images/mine/3ij7) | Directed 'in situ' Elongation as a Strategy to Characterize the Covalent Glycosyl-Enzyme Catalytic Intermediate of Human Pancreatic a-Amylase | Descriptor: | 4-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranosyl fluoride, 4-O-methyl-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-2)-5-fluoro-alpha-L-idopyranose, CALCIUM ION, ... | Authors: | Li, C, Zhang, R, Withers, S.G, Brayer, G.D. | Deposit date: | 2009-08-03 | Release date: | 2009-10-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Directed "in situ" inhibitor elongation as a strategy to structurally characterize the covalent glycosyl-enzyme intermediate of human pancreatic alpha-amylase Biochemistry, 48, 2009
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3IJP
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3F98
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5Y5H
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![BU of 5y5h by Molmil](/molmil-images/mine/5y5h) | SF-ROX structure of cytochrome P450nor (NO-bound state) determined at SACLA | Descriptor: | GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... | Authors: | Tosha, T, Nomura, T, Nishida, T, Yamagiwa, R, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Yamashita, A, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Sugimoto, H, Shiro, Y, Kubo, M. | Deposit date: | 2017-08-09 | Release date: | 2017-12-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
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6EN4
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![BU of 6en4 by Molmil](/molmil-images/mine/6en4) | SF3b core in complex with a splicing modulator | Descriptor: | PHD finger-like domain-containing protein 5A, Splicing factor 3B subunit 1, Splicing factor 3B subunit 3, ... | Authors: | Cretu, C, Pena, V. | Deposit date: | 2017-10-04 | Release date: | 2018-06-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.08 Å) | Cite: | Structural Basis of Splicing Modulation by Antitumor Macrolide Compounds. Mol. Cell, 70, 2018
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7PJN
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![BU of 7pjn by Molmil](/molmil-images/mine/7pjn) | Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B | Descriptor: | (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, GLYCEROL, ... | Authors: | Reinbold, R, Rabe, P, Abboud, M.I, Schofield, C.J, Clifton, I.J. | Deposit date: | 2021-08-24 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13, 2022
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6AFH
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![BU of 6afh by Molmil](/molmil-images/mine/6afh) | DJ-1 with compound 10 | Descriptor: | 1-(2-phenylethyl)indole-2,3-dione, CHLORIDE ION, Protein/nucleic acid deglycase DJ-1 | Authors: | Caaveiro, J.M.M, Tashiro, S, Tsumoto, K. | Deposit date: | 2018-08-08 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Optimization of Inhibitors of the Parkinson's Disease Associated Protein DJ-1. ACS Chem. Biol., 13, 2018
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2J7H
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![BU of 2j7h by Molmil](/molmil-images/mine/2j7h) | Beta-glucosidase from Thermotoga maritima in complex with azafagomine | Descriptor: | ACETATE ION, AZAFAGOMINE, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Meloncelli, P, Stick, R.V, Zechel, D, Davies, G.J. | Deposit date: | 2006-10-08 | Release date: | 2006-10-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
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4Q3P
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![BU of 4q3p by Molmil](/molmil-images/mine/4q3p) | Crystal structure of Schistosoma mansoni arginase | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | Deposit date: | 2014-04-12 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis. Biochemistry, 53, 2014
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2IGK
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![BU of 2igk by Molmil](/molmil-images/mine/2igk) | Crystal structure of recombinant pyranose 2-oxidase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Pyranose oxidase | Authors: | Divne, C. | Deposit date: | 2006-09-22 | Release date: | 2006-10-10 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for substrate binding and regioselective oxidation of monosaccharides at c3 by pyranose 2-oxidase. J.Biol.Chem., 281, 2006
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6GVS
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![BU of 6gvs by Molmil](/molmil-images/mine/6gvs) | Engineered glycolyl-CoA reductase comprising 8 mutations with bound NADP+ | Descriptor: | Aldehyde dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION | Authors: | Zarzycki, J, Trudeau, D, Scheffen, M, Erb, T.J, Tawfik, D.S. | Deposit date: | 2018-06-21 | Release date: | 2018-11-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.579 Å) | Cite: | Design and in vitro realization of carbon-conserving photorespiration. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6AJ5
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![BU of 6aj5 by Molmil](/molmil-images/mine/6aj5) | Crystal structure of ligand-free type DHODH from Eimeria tenella | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S. | Deposit date: | 2018-08-27 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target. Genes (Basel), 11, 2020
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