8OFM
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7VE4
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![BU of 7ve4 by Molmil](/molmil-images/mine/7ve4) | C-terminal domain of VraR | Descriptor: | DNA-binding response regulator | Authors: | Kumar, J.V, Chen, C, Hsu, C.H. | Deposit date: | 2021-09-08 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus. Protein Sci., 31, 2022
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8OF1
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![BU of 8of1 by Molmil](/molmil-images/mine/8of1) | Structure of ALDH5F1 from moss Physcomitrium patens in complex with NAD+ in the contracted conformation | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Morera, S, Kopecny, D, Vigouroux, A. | Deposit date: | 2023-03-13 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A study on abiotic stress responses of aldehyde dehydrogenase (ALDH) superfamilies in moss and barley focused on members linked to the GABA shunt pathway To Be Published
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4WO6
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![BU of 4wo6 by Molmil](/molmil-images/mine/4wo6) | Lysozyme Pre-surface acoustic wave | Descriptor: | Lysozyme C, SODIUM ION | Authors: | French, J.B. | Deposit date: | 2014-10-15 | Release date: | 2015-02-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves. Small, 11, 2015
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4WP7
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![BU of 4wp7 by Molmil](/molmil-images/mine/4wp7) | Structure of human ALDH1A1 with inhibitor CM026 | Descriptor: | 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, Retinal dehydrogenase 1, ... | Authors: | Morgan, C.A, Hurley, T.D. | Deposit date: | 2014-10-17 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Characterization of Two Distinct Structural Classes of Selective Aldehyde Dehydrogenase 1A1 Inhibitors. J.Med.Chem., 58, 2015
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8K7J
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![BU of 8k7j by Molmil](/molmil-images/mine/8k7j) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-((dimethylamino)methyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-[(dimethylamino)methyl]-5-(hydroxymethyl)pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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7VE5
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![BU of 7ve5 by Molmil](/molmil-images/mine/7ve5) | C-terminal domain of VraR | Descriptor: | DNA-binding response regulator, MAGNESIUM ION, R1-DNA | Authors: | Kumar, J.V, Chen, C, Hsu, C.H. | Deposit date: | 2021-09-08 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into DNA binding domain of vancomycin-resistance-associated response regulator in complex with its promoter DNA from Staphylococcus aureus. Protein Sci., 31, 2022
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8K7G
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![BU of 8k7g by Molmil](/molmil-images/mine/8k7g) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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4X4Q
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8K7F
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![BU of 8k7f by Molmil](/molmil-images/mine/8k7f) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2,5-bis(hydroxymethyl)pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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8K7H
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![BU of 8k7h by Molmil](/molmil-images/mine/8k7h) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R)-2-(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{S},4~{R})-2-(hydroxymethyl)-1-methyl-pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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3VMR
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![BU of 3vmr by Molmil](/molmil-images/mine/3vmr) | Crystal structure of Staphylococcus aureus membrane-bound transglycosylase in complex with moenomycin | Descriptor: | MOENOMYCIN, Monofunctional glycosyltransferase | Authors: | Huang, C.Y, Shih, H.W, Lin, L.Y, Tien, Y.W, Cheng, T.J.R, Cheng, W.C, Wong, C.H, Ma, C. | Deposit date: | 2011-12-15 | Release date: | 2012-04-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.688 Å) | Cite: | Crystal structure of Staphylococcus aureus transglycosylase in complex with a lipid II analog and elucidation of peptidoglycan synthesis mechanism Proc.Natl.Acad.Sci.USA, 109, 2012
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8K7D
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![BU of 8k7d by Molmil](/molmil-images/mine/8k7d) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3R,4S,5R)-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(aminomethyl)-5-(hydroxymethyl)pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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4WGG
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![BU of 4wgg by Molmil](/molmil-images/mine/4wgg) | STRUCTURE OF THE TERNARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP AND CONIFERYL ALDEHYDE | Descriptor: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal, Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | Deposit date: | 2014-09-18 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE to be published
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8K7I
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![BU of 8k7i by Molmil](/molmil-images/mine/8k7i) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2-(hydroxymethyl)-5-((methylamino)methyl)pyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)-5-(methylaminomethyl)pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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4WHR
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![BU of 4whr by Molmil](/molmil-images/mine/4whr) | Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-fluorobenzene-1,2-diol, 4-fluorooxepine-2,7-dione, ... | Authors: | Knoot, C.J, Lipscomb, J.D. | Deposit date: | 2014-09-23 | Release date: | 2014-12-31 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structures of alkylperoxo and anhydride intermediates in an intradiol ring-cleaving dioxygenase. Proc.Natl.Acad.Sci.USA, 112, 2015
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7MFH
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![BU of 7mfh by Molmil](/molmil-images/mine/7mfh) | Crystal structure of BIO-32546 bound mouse Autotaxin | Descriptor: | (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Chodaparambil, J.V. | Deposit date: | 2021-04-09 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Potent Selective Nonzinc Binding Autotaxin Inhibitor BIO-32546. Acs Med.Chem.Lett., 12, 2021
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8TJG
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4WJB
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![BU of 4wjb by Molmil](/molmil-images/mine/4wjb) | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia | Descriptor: | 1,2-ETHANEDIOL, Putative amidohydrolase/peptidase, SULFATE ION, ... | Authors: | Lukacs, C.M, Dranow, D.M, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2014-09-29 | Release date: | 2014-10-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia To Be Published
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7MFS
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7MFN
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8K7K
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![BU of 8k7k by Molmil](/molmil-images/mine/8k7k) | Crystal structure of human lysosomal alpha-galactosidase A in complex with (2R,3S,4R,5R)-2,5-bis(hydroxymethyl)-1-methylpyrrolidine-3,4-diol | Descriptor: | (2~{R},3~{S},4~{R},5~{R})-2,5-bis(hydroxymethyl)-1-methyl-pyrrolidine-3,4-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: | Li, H.Y, Huang, K.F, Ko, T.P, Cheng, W.C. | Deposit date: | 2023-07-26 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic Insights into Dibasic Iminosugars as pH-Selective Pharmacological Chaperones to Stabilize Human alpha-Galactosidase. Jacs Au, 4, 2024
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4WKU
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![BU of 4wku by Molmil](/molmil-images/mine/4wku) | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ | Descriptor: | Acyl-homoserine lactone acylase PvdQ, GLYCEROL, hexyl(trihydroxy)borate(1-) | Authors: | Wu, R, Clevenger, K.D, Fast, W, Liu, D. | Deposit date: | 2014-10-03 | Release date: | 2014-11-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | n-Alkylboronic Acid Inhibitors Reveal Determinants of Ligand Specificity in the Quorum-Quenching and Siderophore Biosynthetic Enzyme PvdQ. Biochemistry, 53, 2014
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7MQT
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4WLD
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![BU of 4wld by Molmil](/molmil-images/mine/4wld) | |