7Q4G
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![BU of 7q4g by Molmil](/molmil-images/mine/7q4g) | Structure of coproheme decarboxylase from Corynebacterium dipththeriae Y135A mutant in complex with coproheme | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium diphtheriae Y135A mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER | Authors: | Michlits, H, Valente, N, Mlynek, G, Hofbauer, S. | Deposit date: | 2021-10-30 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes. Front Bioeng Biotechnol, 9, 2021
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3EPX
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![BU of 3epx by Molmil](/molmil-images/mine/3epx) | Crystal structure of Trypanosoma vivax nucleoside hydrolase in complex with the inhibitor (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidin-3,4-diol | Descriptor: | (2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-8-ylmethyl)pyrrolidine-3,4-diol, CALCIUM ION, GLYCEROL, ... | Authors: | Versees, W, Goeminne, A, Berg, M, Vandemeulebroucke, A, Haemers, A, Augustyns, K, Steyaert, J. | Deposit date: | 2008-09-30 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of T. vivax nucleoside hydrolase in complex with new potent and specific inhibitors. Biochim.Biophys.Acta, 1794, 2009
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6IBK
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![BU of 6ibk by Molmil](/molmil-images/mine/6ibk) | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763 | Descriptor: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | Deposit date: | 2018-11-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease Chem Sci, 2019
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6A9J
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![BU of 6a9j by Molmil](/molmil-images/mine/6a9j) | Crystal structure of the PE-bound N-terminal domain of Atg2 | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Endolysin,Autophagy-related protein 2 | Authors: | Osawa, T, Noda, N.N. | Deposit date: | 2018-07-13 | Release date: | 2019-03-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Atg2 mediates direct lipid transfer between membranes for autophagosome formation. Nat. Struct. Mol. Biol., 26, 2019
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3HCJ
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4KWG
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![BU of 4kwg by Molmil](/molmil-images/mine/4kwg) | Crystal Structure Analysis of ALDH2+ALDiB13 | Descriptor: | 1,2-ETHANEDIOL, 7-bromo-5-methyl-1H-indole-2,3-dione, Aldehyde dehydrogenase, ... | Authors: | Hurley, T.D, Kimble-Hill, A.C. | Deposit date: | 2013-05-24 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones. J.Med.Chem., 57, 2014
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6ED2
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![BU of 6ed2 by Molmil](/molmil-images/mine/6ed2) | Faecalibacterium prausnitzii beta-glucuronidase | Descriptor: | FORMIC ACID, GLYCEROL, Glycosyl hydrolase family 2, ... | Authors: | Pellock, S.J, Biernat, K.A, Redinbo, M.R. | Deposit date: | 2018-08-08 | Release date: | 2019-02-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases. Sci Rep, 9, 2019
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7Q4F
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![BU of 7q4f by Molmil](/molmil-images/mine/7q4f) | Structure of coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme | Descriptor: | 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, Coproheme decarboxylase from Corynebacterium dipththeriae W183Y mutant in complex with coproheme, DI(HYDROXYETHYL)ETHER, ... | Authors: | Michlits, H, Valente, N, Mlynek, G, Hofbauer, S. | Deposit date: | 2021-10-30 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Initial Steps to Engineer Coproheme Decarboxylase to Obtain Stereospecific Monovinyl, Monopropionyl Deuterohemes. Front Bioeng Biotechnol, 9, 2021
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3EOM
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![BU of 3eom by Molmil](/molmil-images/mine/3eom) | |
3GRS
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4PK6
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![BU of 4pk6 by Molmil](/molmil-images/mine/4pk6) | Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative | Descriptor: | Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kohno, T, Tojo, S, Ishii, T, Kamioka, S. | Deposit date: | 2014-05-13 | Release date: | 2014-09-03 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (3.45 Å) | Cite: | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. Acs Med.Chem.Lett., 5, 2014
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3HSC
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![BU of 3hsc by Molmil](/molmil-images/mine/3hsc) | THREE-DIMENSIONAL STRUCTURE OF THE ATPASE FRAGMENT OF A 70K HEAT-SHOCK COGNATE PROTEIN | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEAT-SHOCK COGNATE 7OKD PROTEIN, MAGNESIUM ION, ... | Authors: | Flaherty, K.M, Deluca-Flaherty, C.R, Mckay, D.B. | Deposit date: | 1995-03-24 | Release date: | 1995-07-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Three-dimensional structure of the ATPase fragment of a 70K heat-shock cognate protein. Nature, 346, 1990
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6ECA
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![BU of 6eca by Molmil](/molmil-images/mine/6eca) | Lactobacillus rhamnosus Beta-glucuronidase | Descriptor: | Beta-glucuronidase, CHLORIDE ION, GLYCEROL | Authors: | Biernat, K.A, Pellock, S.J, Bhatt, A.P, Bivins, M.M, Walton, W.G, Tran, B.N.T, Wei, L, Snider, M.C, Cesmat, A.P, Tripathy, A, Erie, D.A, Redinbo, M.R.R. | Deposit date: | 2018-08-07 | Release date: | 2019-02-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.853 Å) | Cite: | Structure, function, and inhibition of drug reactivating human gut microbial beta-glucuronidases. Sci Rep, 9, 2019
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2IFF
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7PZJ
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![BU of 7pzj by Molmil](/molmil-images/mine/7pzj) | Structure of a bacteroidetal polyethylene terephthalate (PET) esterase | Descriptor: | Lipase, POTASSIUM ION | Authors: | Zang, H, Dierkes, R, Perez-Garcia, P, Weigert, S, Sternagel, S, Hallam, S.J, Applegate, V, Schumacher, J, Schott, T, Pleiss, J, Almeida, A, Hoecker, B, Smits, S.H, Schmitz, R.A, Chow, J, Streit, W.R. | Deposit date: | 2021-10-12 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Bacteroidetes Aequorivita sp. and Kaistella jeonii Produce Promiscuous Esterases With PET-Hydrolyzing Activity. Front Microbiol, 12, 2021
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2J13
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![BU of 2j13 by Molmil](/molmil-images/mine/2j13) | Structure of a family 4 carbohydrate esterase from Bacillus anthracis | Descriptor: | ACETATE ION, CACODYLATE ION, POLYSACCHARIDE DEACETYLASE, ... | Authors: | Gloster, T.M, Oberbarnscheidt, L, Taylor, E.J, Davies, G.J. | Deposit date: | 2006-08-08 | Release date: | 2006-10-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a Carbohydrate Esterase from Bacillus Anthracis. Proteins: Struct., Funct., Bioinf., 66, 2007
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2ID2
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![BU of 2id2 by Molmil](/molmil-images/mine/2id2) | GAPN T244S mutant X-ray structure at 2.5 A | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADP-dependent glyceraldehyde-3-phosphate dehydrogenase, SULFATE ION | Authors: | Pailot, A, D'Ambrosio, K, Corbier, C, Talfournier, F, Branlant, G. | Deposit date: | 2006-09-14 | Release date: | 2007-09-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans. Biochem.J., 400, 2006
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6ABJ
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![BU of 6abj by Molmil](/molmil-images/mine/6abj) | The apo-structure of D-lactate dehydrogenase from Pseudomonas aeruginosa | Descriptor: | ACETATE ION, D-lactate dehydrogenase (Fermentative) | Authors: | Furukawa, N, Miyanaga, A, Nakajima, M, Taguchi, H. | Deposit date: | 2018-07-21 | Release date: | 2018-09-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural Basis of Sequential Allosteric Transitions in Tetrameric d-Lactate Dehydrogenases from Three Gram-Negative Bacteria Biochemistry, 57, 2018
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3E27
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4L1G
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4PNW
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![BU of 4pnw by Molmil](/molmil-images/mine/4pnw) | E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((S)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid | Descriptor: | (2R)-6-bromo-9-(2-{[(1S)-1-carboxy-2-phenylethyl]amino}-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2014-02-21 | Release date: | 2014-03-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. J.Med.Chem., 58, 2015
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6AFC
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![BU of 6afc by Molmil](/molmil-images/mine/6afc) | DJ-1 with compound 4 | Descriptor: | 5-fluoranyl-1~{H}-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 (1.45 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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2IEM
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![BU of 2iem by Molmil](/molmil-images/mine/2iem) | Solution structure of an oxidized form (Cys51-Cys198) of E. coli Methionine Sulfoxide Reductase A (MsrA) | Descriptor: | Peptide methionine sulfoxide reductase msrA | Authors: | Coudevylle, N, Antoine, M, Bouguet-Bonnet, S, Mutzenhardt, P, Boschi-Muller, S, Branlant, G, Cung, M.T. | Deposit date: | 2006-09-19 | Release date: | 2007-02-13 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Solution Structure and Backbone Dynamics of the Reduced Form and an Oxidized Form of E. coli Methionine Sulfoxide Reductase A (MsrA): Structural Insight of the MsrA Catalytic Cycle. J.Mol.Biol., 366, 2007
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6IQ5
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![BU of 6iq5 by Molmil](/molmil-images/mine/6iq5) | Crystal Structure of CYP1B1 and Inhibitor Having Azide Group | Descriptor: | 2-(cis-4-azidocyclohexyl)-4H-naphtho[1,2-b]pyran-4-one, Cytochrome P450 1B1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Kubo, M, Yamamoto, K, Itoh, T. | Deposit date: | 2018-11-06 | Release date: | 2019-01-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design and synthesis of selective CYP1B1 inhibitor via dearomatization of alpha-naphthoflavone. Bioorg. Med. Chem., 27, 2019
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2RG0
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![BU of 2rg0 by Molmil](/molmil-images/mine/2rg0) | Crystal structure of cellobiohydrolase from Melanocarpus albomyces complexed with cellotetraose | Descriptor: | Cellulose 1,4-beta-cellobiosidase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Parkkinen, T, Koivula, A, Vehmaanper, J, Rouvinen, J. | Deposit date: | 2007-10-02 | Release date: | 2008-09-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of Melanocarpus albomyces cellobiohydrolase Cel7B in complex with cello-oligomers show high flexibility in the substrate binding Protein Sci., 17, 2008
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