7SEY
 
 | | M. tb EgtD in complex with SGH | | Descriptor: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one, Histidine N-alpha-methyltransferase | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-10-02 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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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: | 2024-11-06 | | 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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5VSJ
 | | Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, {2-[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]ethyl}phosphonic acid | | Authors: | Petit, C, Ronning, D.R. | | Deposit date: | 2017-05-11 | | Release date: | 2017-05-31 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.456 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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4QDX
 | | Crystal structure of Antigen 85C-C209G mutant | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION | | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | | Deposit date: | 2014-05-14 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
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4QDZ
 | | Crystal structure of Antigen 85C-E228Q mutant | | Descriptor: | ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C, HEXAETHYLENE GLYCOL | | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | | Deposit date: | 2014-05-14 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.885 Å) | | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
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8UQV
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4QDO
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4QDU
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7MYG
 | | M. tb Ag85C modified by THL-10d | | Descriptor: | Diacylglycerol acyltransferase, GLYCEROL | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-05-21 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Total Synthesis of Tetrahydrolipstatin, Its Derivatives, and Evaluation of Their Ability to Potentiate Multiple Antibiotic Classes against Mycobacterium Species.
Acs Infect Dis., 7, 2021
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7SCF
 | | M. tb EgtD in complex with HD2 | | Descriptor: | (2S)-3-(1H-imidazol-5-yl)-2-(1H-pyrrol-1-yl)propanoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-09-28 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SEX
 | | M. tb EgtD in complex with TGX221 | | Descriptor: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Histidine N-alpha-methyltransferase | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-10-02 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SEW
 | | M. tb EgtD in complex with HD6 | | Descriptor: | 1,3-PROPANDIOL, GLYCEROL, Histidine N-alpha-methyltransferase, ... | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-10-02 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SF5
 | | M. tb EgtD in complex with HD3 | | Descriptor: | Histidine N-alpha-methyltransferase, N-(benzylcarbamothioyl)-L-histidine | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-10-03 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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7SF4
 | | M. tb EgtD in complex with imatinib | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-4-PYRIDYL-PYRIMIDINE, GLYCEROL, ... | | Authors: | Sudasinghe, T.D, Ronning, D.R. | | Deposit date: | 2021-10-03 | | Release date: | 2021-12-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Inhibitors of Mycobacterium tuberculosis EgtD target both substrate binding sites to limit hercynine production.
Sci Rep, 11, 2021
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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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4QEK
 | | Crystal structure of Antigen 85C-S124A mutant | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C, SULFATE ION, alpha-D-glucopyranose | | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | | Deposit date: | 2014-05-16 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
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4QE3
 | | Crystal structure of Antigen 85C-H260Q mutant | | Descriptor: | ACETIC ACID, CHAPSO, Diacylglycerol acyltransferase/mycolyltransferase Ag85C | | Authors: | Favrot, L, Lajiness, D.H, Ronning, D.R. | | Deposit date: | 2014-05-15 | | Release date: | 2014-07-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
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4OJT
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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
 | | 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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1M55
 | | Catalytic domain of the Adeno Associated Virus type 5 Rep protein | | Descriptor: | CHLORIDE ION, Rep protein, ZINC ION | | Authors: | Hickman, A.B, Ronning, D.R, Kotin, R.M, Dyda, F. | | Deposit date: | 2002-07-08 | | Release date: | 2002-08-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural unity among viral origin binding proteins: crystal structure of the nuclease domain of adeno-associated virus Rep.
Mol.Cell, 10, 2002
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4OY3
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4QDT
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1YNL
 | | Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeterners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | | Descriptor: | 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID, Ig gamma heavy chain, Ig gamma light chain | | Authors: | Gokulan, K, Khare, S, Ronning, D.R, Linthicum, S.D, Sacchettini, J.C, Rupp, B. | | Deposit date: | 2005-01-24 | | Release date: | 2005-08-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cocrystal Structures of NC6.8 Fab Identify Key Interactions for High Potency Sweetener Recognition: Implications for the Design of Synthetic Sweeteners
Biochemistry, 44, 2005
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4MQM
 | | Crystal structure of Antigen 85C in presence of Ebselen | | Descriptor: | Diacylglycerol acyltransferase/mycolyltransferase Ag85C | | Authors: | Favrot, L, Grzegorzewicz, A.E, Lajiness, D.H, Marvin, R.K, Boucau, J, Isailovic, D, Jackson, M, Ronning, D.R. | | Deposit date: | 2013-09-16 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.346 Å) | | Cite: | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen.
Nat Commun, 4, 2013
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