5MG5
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![BU of 5mg5 by Molmil](/molmil-images/mine/5mg5) | A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG) | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | Deposit date: | 2016-11-20 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase. Chembiochem, 20, 2019
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1JU2
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![BU of 1ju2 by Molmil](/molmil-images/mine/1ju2) | Crystal structure of the hydroxynitrile lyase from almond | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Dreveny, I, Gruber, K, Glieder, A, Thompson, A, Kratky, C. | Deposit date: | 2001-08-23 | Release date: | 2002-09-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The hydroxynitrile lyase from almond: a lyase that looks like an oxidoreductase. Structure, 9, 2001
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7OUP
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![BU of 7oup by Molmil](/molmil-images/mine/7oup) | Structure of human DPP3 in complex with a hydroxyethylene transition state peptidomimetic | Descriptor: | ((2R,4S,5S)-5-((S)-2-amino-3-methylbutanamido)-2-benzyl-4-hydroxy-6-methylheptanoyl)-L-prolyl-L-tryptophan, Dipeptidyl peptidase 3, MAGNESIUM ION, ... | Authors: | Kumar, P, Reithofer, V, Gruber, K. | Deposit date: | 2021-06-12 | Release date: | 2021-08-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Efficient Entropy-Driven Inhibition of Dipeptidyl Peptidase III by Hydroxyethylene Transition-State Peptidomimetics. Chemistry, 27, 2021
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3ZOH
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![BU of 3zoh by Molmil](/molmil-images/mine/3zoh) | Crystal structure of FMN-binding protein (YP_005476) from Thermus thermophilus with bound 1-Cyclohex-2-enone | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVOREDOXIN, cyclohex-2-en-1-one | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K. | Deposit date: | 2013-02-21 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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3ZOC
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![BU of 3zoc by Molmil](/molmil-images/mine/3zoc) | Crystal structure of FMN-binding protein (NP_142786.1) from Pyrococcus horikoshii with bound p-hydroxybenzaldehyde | Descriptor: | FLAVIN MONONUCLEOTIDE, FMN-BINDING PROTEIN, P-HYDROXYBENZALDEHYDE | Authors: | Pavkov-Keller, T, Steinkellner, G, Gruber, C.C, Steiner, K, Winkler, C, Schwamberger, O, Schwab, H, Faber, K, Gruber, K. | Deposit date: | 2013-02-21 | Release date: | 2014-05-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Promiscuous Ene-Reductase Activity by Mining Structural Databases Using Active Site Constellations. Nat.Commun., 5, 2014
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5M58
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![BU of 5m58 by Molmil](/molmil-images/mine/5m58) | |
4CE5
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![BU of 4ce5 by Molmil](/molmil-images/mine/4ce5) | First crystal structure of an (R)-selective omega-transaminase from Aspergillus terreus | Descriptor: | AT-OMEGATA, CALCIUM ION, CHLORIDE ION, ... | Authors: | Lyskowski, A, Gruber, C, Steinkellner, G, Schurmann, M, Schwab, H, Gruber, K, Steiner, K. | Deposit date: | 2013-11-08 | Release date: | 2014-02-12 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal Structure of an (R)-Selective Omega-Transaminase from Aspergillus Terreus Plos One, 9, 2014
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6EZD
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![BU of 6ezd by Molmil](/molmil-images/mine/6ezd) | |
8B30
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![BU of 8b30 by Molmil](/molmil-images/mine/8b30) | |
8C66
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![BU of 8c66 by Molmil](/molmil-images/mine/8c66) | |
4UU2
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![BU of 4uu2 by Molmil](/molmil-images/mine/4uu2) | Ferulic acid decarboxylase from Enterobacter sp., single mutant | Descriptor: | FERULIC ACID DECARBOXYLASE, GLYCINE, PHOSPHATE ION, ... | Authors: | Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K. | Deposit date: | 2014-07-24 | Release date: | 2015-06-10 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases. Adv. Synth. Catal., 357, 2015
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4BIF
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![BU of 4bif by Molmil](/molmil-images/mine/4bif) | Biochemical and structural characterisation of a novel manganese- dependent hydroxynitrile lyase from bacteria | Descriptor: | CUPIN 2 CONSERVED BARREL DOMAIN PROTEIN, MANGANESE (II) ION | Authors: | Hajnal, I, Lyskowski, A, Hanefeld, U, Gruber, K, Schwab, H, Steiner, K. | Deposit date: | 2013-04-10 | Release date: | 2013-09-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Biochemical and Structural Characterisation of a Novel Bacterial Manganese-Dependent Hydroxynitrile Lyase. FEBS J., 280, 2013
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3RLI
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![BU of 3rli by Molmil](/molmil-images/mine/3rli) | Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 in complex with PMSF | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase, phenylmethanesulfonic acid | Authors: | Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M. | Deposit date: | 2011-04-19 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.854 Å) | Cite: | The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes. Biochim.Biophys.Acta, 1821, 2012
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3RM3
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![BU of 3rm3 by Molmil](/molmil-images/mine/3rm3) | Crystal structure of monoacylglycerol lipase from Bacillus sp. H257 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, Thermostable monoacylglycerol lipase | Authors: | Rengachari, S, Bezerra, G.A, Gruber, K, Oberer, M. | Deposit date: | 2011-04-20 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structure of monoacylglycerol lipase from Bacillus sp. H257 reveals unexpected conservation of the cap architecture between bacterial and human enzymes. Biochim.Biophys.Acta, 1821, 2012
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4V3B
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![BU of 4v3b by Molmil](/molmil-images/mine/4v3b) | The structure of alpha2,3-sialyltransferase variant 1 from Pasteurella dagmatis in complex with the donor product CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-17 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4V3C
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![BU of 4v3c by Molmil](/molmil-images/mine/4v3c) | The structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis in complex with the donor product CMP | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-17 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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4V39
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![BU of 4v39 by Molmil](/molmil-images/mine/4v39) | Apo-structure of alpha2,3-sialyltransferase variant 2 from Pasteurella dagmatis | Descriptor: | SIALYLTRANSFERASE | Authors: | Pavkov-Keller, T, Schmoelzer, K, Czabany, T, Luley-Goedl, C, Ribitsch, D, Schwab, H, Nidetzky, B, Gruber, K. | Deposit date: | 2014-10-17 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Complete Switch from Alpha2,3- to Alpha2,6-Regioselectivity in Pasteurella Dagmatis Beta-D-Galactoside Sialyltransferase by Active-Site Redesign Chem.Commun.(Camb.), 51, 2015
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7A0Q
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7A0T
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![BU of 7a0t by Molmil](/molmil-images/mine/7a0t) | |
4WV8
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![BU of 4wv8 by Molmil](/molmil-images/mine/4wv8) | Crystal structure of a recombinant Vatairea macrocarpa seed lectin complexed with lactose | Descriptor: | CALCIUM ION, MANGANESE (II) ION, Seed lectin, ... | Authors: | Sousa, B.L, Silva-Filho, J.C, Kumar, P, Lyskowski, A, Bezerra, G.A, Delatorre, P, Rocha, B.A.M, Cunha, R.M.S, Nagano, C.S, Gruber, K, Cavada, B.S. | Deposit date: | 2014-11-04 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Structural characterization of a Vatairea macrocarpa lectin in complex with a tumor-associated antigen: A new tool for cancer research. Int.J.Biochem.Cell Biol., 72, 2016
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5E4B
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5E4M
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![BU of 5e4m by Molmil](/molmil-images/mine/5e4m) | |
5E46
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![BU of 5e46 by Molmil](/molmil-images/mine/5e46) | |
5E4D
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![BU of 5e4d by Molmil](/molmil-images/mine/5e4d) | |
7LQU
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![BU of 7lqu by Molmil](/molmil-images/mine/7lqu) | Crystal Structure of HIV-1 RT in Complex with NBD-14075 | Descriptor: | Reverse transcriptase p51, Reverse transcriptase p66, SULFATE ION, ... | Authors: | Losada, N, Ruiz, F.X, Gruber, K, Das, K, Arnold, E. | Deposit date: | 2021-02-15 | Release date: | 2021-11-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | HIV-1 gp120 Antagonists Also Inhibit HIV-1 Reverse Transcriptase by Bridging the NNRTI and NRTI Sites. J.Med.Chem., 64, 2021
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