7ZF0
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![BU of 7zf0 by Molmil](/molmil-images/mine/7zf0) | Crystal structure of UGT85B1 from Sorghum bicolor in complex with UDP and p-hydroxymandelonitrile | Descriptor: | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE, 1,2-ETHANEDIOL, Cyanohydrin beta-glucosyltransferase, ... | Authors: | Putkaradze, N, Fredslund, F, Welner, D.H. | Deposit date: | 2022-03-31 | Release date: | 2022-07-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided engineering of key amino acids in UGT85B1 controlling substrate and stereo-specificity in aromatic cyanogenic glucoside biosynthesis. Plant J., 111, 2022
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8AKI
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![BU of 8aki by Molmil](/molmil-images/mine/8aki) | Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AR9
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![BU of 8ar9 by Molmil](/molmil-images/mine/8ar9) | |
8B0W
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7R3U
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![BU of 7r3u by Molmil](/molmil-images/mine/7r3u) | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Snee, M, Katariya, M, Leys, D, Levy, C. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis. Chemistry, 29, 2023
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7SD2
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7T69
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![BU of 7t69 by Molmil](/molmil-images/mine/7t69) | Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici | Descriptor: | Avr3 (SIX1), Secreted in xylem 1, SULFATE ION | Authors: | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | Deposit date: | 2021-12-13 | Release date: | 2023-01-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife, 2023
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7T6A
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![BU of 7t6a by Molmil](/molmil-images/mine/7t6a) | Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici | Descriptor: | Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ... | Authors: | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | Deposit date: | 2021-12-13 | Release date: | 2023-01-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife, 2023
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1R7X
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![BU of 1r7x by Molmil](/molmil-images/mine/1r7x) | Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-amino-3-deoxy-beta-D-galactopyranoside | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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1R80
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![BU of 1r80 by Molmil](/molmil-images/mine/1r80) | Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ... | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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1R7V
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![BU of 1r7v by Molmil](/molmil-images/mine/1r7v) | Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor | Descriptor: | Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-amino-3-deoxy-beta-D-galactopyranoside | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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1R81
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![BU of 1r81 by Molmil](/molmil-images/mine/1r81) | Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate-N-acetyl-galactose | Descriptor: | Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, ... | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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6VAP
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![BU of 6vap by Molmil](/molmil-images/mine/6vap) | Structure of the type II thioesterase BorB from the borrelidin biosynthetic cluster | Descriptor: | Thioesterase | Authors: | Pereira, J.H, Curran, S.C, Baluyot, M.-J, Lake, J, Putz, H, Rosenburg, D, Keasling, J, Adams, P.D. | Deposit date: | 2019-12-17 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure and Function of BorB, the Type II Thioesterase from the Borrelidin Biosynthetic Gene Cluster. Biochemistry, 59, 2020
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1T96
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![BU of 1t96 by Molmil](/molmil-images/mine/1t96) | r106g kdo8ps with pep | Descriptor: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... | Authors: | Gatti, D.L. | Deposit date: | 2004-05-14 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase. To be Published
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7UPH
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![BU of 7uph by Molmil](/molmil-images/mine/7uph) | Structure of a ribosome with tethered subunits | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Kim, D.S, Watkins, A, Bidstrup, E, Lee, J, Topkar, V.V, Kofman, C, Schwarz, K.J, Liu, Y, Pintilie, G, Roney, E, Das, R, Jewett, M.C. | Deposit date: | 2022-04-15 | Release date: | 2022-08-17 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (4.18 Å) | Cite: | Three-dimensional structure-guided evolution of a ribosome with tethered subunits. Nat.Chem.Biol., 18, 2022
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1R7U
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![BU of 1r7u by Molmil](/molmil-images/mine/1r7u) | Glycosyltransferase B in complex with 3-deoxy-acceptor analog inhibitor | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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1R82
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![BU of 1r82 by Molmil](/molmil-images/mine/1r82) | Glycosyltransferase B in complex with 3-amino-acceptor analog inhibitor, and uridine diphosphate-galactose | Descriptor: | GALACTOSE-URIDINE-5'-DIPHOSPHATE, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION, ... | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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7JYC
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![BU of 7jyc by Molmil](/molmil-images/mine/7jyc) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Narlaprevir | Descriptor: | (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-08-30 | Release date: | 2020-09-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K3T
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![BU of 7k3t by Molmil](/molmil-images/mine/7k3t) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a Possible Capture of Zinc Binding Intermediate | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, ZINC ION | Authors: | Andi, B, Kumaran, D, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-13 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K6D
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![BU of 7k6d by Molmil](/molmil-images/mine/7k6d) | SARS-CoV-2 Main Protease Co-Crystal Structure with Telaprevir Determined from Crystals Grown with 40 nL Acoustically Ejected Mpro Droplets at 1.48 A Resolution (Cryo-protected) | Descriptor: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Kreitler, D.F, Andi, B, Kumaran, D, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-19 | Release date: | 2020-09-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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7K40
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![BU of 7k40 by Molmil](/molmil-images/mine/7k40) | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | Deposit date: | 2020-09-14 | Release date: | 2020-09-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease. Sci Rep, 12, 2022
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1R7T
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![BU of 1r7t by Molmil](/molmil-images/mine/1r7t) | Glycosyltransferase A in complex with 3-deoxy-acceptor analog inhibitor | Descriptor: | Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MERCURY (II) ION, alpha-L-fucopyranose-(1-2)-hexyl 3-deoxy-beta-D-galactopyranoside | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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1R7Y
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![BU of 1r7y by Molmil](/molmil-images/mine/1r7y) | Glycosyltransferase A in complex with 3-amino-acceptor analog inhibitor and uridine diphosphate | Descriptor: | Glycoprotein-fucosylgalactoside alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, MERCURY (II) ION, ... | Authors: | Nguyen, H.P, Seto, N.O.L, Cai, Y, Leinala, E.K, Borisova, S.N, Palcic, M.M, Evans, S.V. | Deposit date: | 2003-10-22 | Release date: | 2004-02-10 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The influence of an intramolecular hydrogen bond in differential recognition of inhibitory acceptor analogs by human ABO(H) blood group A and B glycosyltransferases J.Biol.Chem., 278, 2003
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1UL9
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![BU of 1ul9 by Molmil](/molmil-images/mine/1ul9) | CGL2 ligandfree | Descriptor: | galectin-2 | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | Deposit date: | 2003-09-12 | Release date: | 2004-04-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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1ULC
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![BU of 1ulc by Molmil](/molmil-images/mine/1ulc) | CGL2 in complex with lactose | Descriptor: | beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, galectin-2 | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | Deposit date: | 2003-09-12 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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