8GLB
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![BU of 8glb by Molmil](/molmil-images/mine/8glb) | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | Descriptor: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | Authors: | Pathirage, R, Ronning, D, Favrot, L. | Deposit date: | 2023-03-21 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GMI
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8GMK
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![BU of 8gmk by Molmil](/molmil-images/mine/8gmk) | Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | Authors: | Pathirage, R, Ronning, D, Yamsek, M. | Deposit date: | 2023-03-26 | Release date: | 2023-06-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GI7
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8GM9
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![BU of 8gm9 by Molmil](/molmil-images/mine/8gm9) | Structure of Citrate Synthase(CitA) in Mycobacterium Tuberculosis | Descriptor: | 1,2-ETHANEDIOL, ACRYLIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Pathirage, R, Ronning, D, Favrot, L. | Deposit date: | 2023-03-24 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GLL
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![BU of 8gll by Molmil](/molmil-images/mine/8gll) | R149E variant of Citrate Synthase (CitA) in Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | Authors: | Pathirage, R, Ronning, D, Petit, C. | Deposit date: | 2023-03-22 | Release date: | 2023-06-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding. Rsc Med Chem, 14, 2023
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8GIW
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8GMF
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5VT4
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![BU of 5vt4 by Molmil](/molmil-images/mine/5vt4) | Sco GlgEI-V279S in complex with a pyrolidene-based methyl-phosphonate compound | Descriptor: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid | Authors: | Petit, C, Ronning, D.R, Lindenberger, J.J. | Deposit date: | 2017-05-15 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.205 Å) | Cite: | Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S. Org. Biomol. Chem., 15, 2017
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8F2L
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8F5V
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8UZH
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5WAT
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![BU of 5wat by Molmil](/molmil-images/mine/5wat) | Corynebacterium glutamicum Full length Homoserine kinase | Descriptor: | HEXAETHYLENE GLYCOL, Homoserine kinase, MAGNESIUM ION, ... | Authors: | Petit, C, Ronning, D.R. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.141 Å) | Cite: | Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis. ACS Omega, 3, 2018
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5WAS
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![BU of 5was by Molmil](/molmil-images/mine/5was) | Corynebacterium glutamicum Hydrolyzed Homoserine kinase | Descriptor: | Homoserine kinase, PHOSPHATE ION | Authors: | Petit, C, Ronning, D.R. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Reduction of Feedback Inhibition in Homoserine Kinase (ThrB) ofCorynebacterium glutamicumEnhances l-Threonine Biosynthesis. ACS Omega, 3, 2018
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5VNS
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![BU of 5vns by Molmil](/molmil-images/mine/5vns) | M.tb Antigen 85C Acyl-Enzyme Intermediate with Tetrahydrolipstatin | Descriptor: | (2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, ... | Authors: | Goins, C.M, Ronning, D.R. | Deposit date: | 2017-05-01 | Release date: | 2018-01-24 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Mycolyltransferase fromMycobacterium tuberculosisin covalent complex with tetrahydrolipstatin provides insights into antigen 85 catalysis. J. Biol. Chem., 293, 2018
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5W95
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![BU of 5w95 by Molmil](/molmil-images/mine/5w95) | Mtb Rv3802c with PEG bound | Descriptor: | Conserved membrane protein of uncharacterised function, PENTAETHYLENE GLYCOL | Authors: | Goins, C.M, Schreidah, C.M, Ronning, D.R. | Deposit date: | 2017-06-22 | Release date: | 2017-12-27 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.723 Å) | Cite: | Structural basis for lipid binding and mechanism of the Mycobacterium tuberculosis Rv3802 phospholipase. J. Biol. Chem., 293, 2018
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8S9D
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8S97
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7UVD
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![BU of 7uvd by Molmil](/molmil-images/mine/7uvd) | Sco GlgEI-V279S in complex with cyclohexyl carbasugar | Descriptor: | (1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-30 | Release date: | 2023-05-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Sco GlgEI-V279S in complex with cyclohexyl carbasugar To Be Published
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8FX9
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7MEL
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![BU of 7mel by Molmil](/molmil-images/mine/7mel) | Sco GlgEI-V279S in complex with 4-alpha-glucoside of validamine | Descriptor: | (1R,2R,3S,4S,6R)-4-amino-2,3-dihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, ... | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-04-06 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Stereoselective synthesis of a 4-alpha-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S. Sci Rep, 11, 2021
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7MGY
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![BU of 7mgy by Molmil](/molmil-images/mine/7mgy) | Sco GlgEI-V279S in complex with 4-alpha-glucoside of valienamine | Descriptor: | (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2021-04-13 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Stereoselective synthesis of a 4-⍺-glucoside of valienamine and its X-ray structure in complex with Streptomyces coelicolor GlgE1-V279S. Sci Rep, 11, 2021
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4V41
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![BU of 4v41 by Molmil](/molmil-images/mine/4v41) | E. COLI (LAC Z) BETA-GALACTOSIDASE (NCS CONSTRAINED MONOMER-MONOCLINIC) | Descriptor: | BETA-GALACTOSIDASE, MAGNESIUM ION | Authors: | Juers, D.H, Jacobson, R.H, Wigley, D, Zhang, X.J, Huber, R.E, Tronrud, D.E, Matthews, B.W. | Deposit date: | 2000-06-07 | Release date: | 2014-07-09 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High resolution refinement of beta-galactosidase in a new crystal form reveals multiple metal-binding sites and provides a structural basis for alpha-complementation. Protein Sci., 9, 2000
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7RYT
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7USI
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![BU of 7usi by Molmil](/molmil-images/mine/7usi) | BRD2-BD1 in complex with MDP5 | Descriptor: | (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ... | Authors: | Jayasinghe, T.D, Ronning, D.R. | Deposit date: | 2022-04-25 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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