8S97
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8S9D
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4QE3
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![BU of 4qe3 by Molmil](/molmil-images/mine/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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4QDZ
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![BU of 4qdz by Molmil](/molmil-images/mine/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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4QDU
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4QDT
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4QDX
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![BU of 4qdx by Molmil](/molmil-images/mine/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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4QDO
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8D6K
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![BU of 8d6k by Molmil](/molmil-images/mine/8d6k) | 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.J, Ronning, D.R. | Deposit date: | 2022-06-06 | Release date: | 2022-10-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Synthesis of C 7 /C 8 -cyclitols and C 7 N-aminocyclitols from maltose and X-ray crystal structure of Streptomyces coelicolor GlgEI V279S in a complex with an amylostatin GXG-like derivative. Front Chem, 10, 2022
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8F5V
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8F2L
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1UUT
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![BU of 1uut by Molmil](/molmil-images/mine/1uut) | The Nuclease Domain of Adeno-Associated Virus Rep Complexed with the RBE' Stemloop of the Viral Inverted Terminal Repeat | Descriptor: | 5'-D(*CP*AP*GP*CP*TP*CP*TP*TP*TP*GP *AP*GP*CP*TP*G)-3', CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Dyda, F, Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M. | Deposit date: | 2004-01-10 | Release date: | 2004-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Nuclease Domain of Adeno-Associated Virus Rep Coordinates Replication Initiation Using Two Distinct DNA Recognition Interfaces Mol.Cell, 13, 2004
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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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1RZ9
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![BU of 1rz9 by Molmil](/molmil-images/mine/1rz9) | Crystal Structure of AAV Rep complexed with the Rep-binding sequence | Descriptor: | 26-MER, Rep protein | Authors: | Hickman, A.B, Ronning, D.R, Perez, Z.N, Kotin, R.M, Dyda, F. | Deposit date: | 2003-12-24 | Release date: | 2004-02-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The nuclease domain of adeno-associated virus rep coordinates replication initiation using two distinct DNA recognition interfaces. Mol.Cell, 13, 2004
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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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7USG
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![BU of 7usg by Molmil](/molmil-images/mine/7usg) | BRD2-BD2 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 (1.2 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USH
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![BU of 7ush by Molmil](/molmil-images/mine/7ush) | BRD2-BD2 in complex with SF2523 | Descriptor: | 1,2-ETHANEDIOL, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, 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 (1.27 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USK
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![BU of 7usk by Molmil](/molmil-images/mine/7usk) | BRD4-BD2 Ligand free | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE | 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 (1.22 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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7USJ
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![BU of 7usj by Molmil](/molmil-images/mine/7usj) | BRD4-BD2 in complex with SF2523 | Descriptor: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one, Bromodomain-containing protein 4 | 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 (2.08 Å) | Cite: | Targeting BRD4 and PI3K signaling pathways for the treatment of medulloblastoma. J Control Release, 354, 2023
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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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7MYG
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![BU of 7myg by Molmil](/molmil-images/mine/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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7SEX
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![BU of 7sex by Molmil](/molmil-images/mine/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
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![BU of 7sew by Molmil](/molmil-images/mine/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
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![BU of 7sf5 by Molmil](/molmil-images/mine/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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