7SCF
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![BU of 7scf by Molmil](/molmil-images/mine/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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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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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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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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1YNK
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![BU of 1ynk by Molmil](/molmil-images/mine/1ynk) | Identification of Key residues of the NC6.8 Fab antibody fragment binding to synthetic sweeteners: Crystal structure of NC6.8 co-crystalized with high potency sweetener compound SC45647 | Descriptor: | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)-1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE-1,1-DIOL, Ig gamma heavy chain, immunoglobulin kappa 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: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 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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1YNL
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![BU of 1ynl by Molmil](/molmil-images/mine/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: | 2018-01-31 | 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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1NL3
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![BU of 1nl3 by Molmil](/molmil-images/mine/1nl3) | CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS in APO FORM | Descriptor: | PREPROTEIN TRANSLOCASE SECA 1 SUBUNIT | Authors: | Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-01-06 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase Proc.Natl.Acad.Sci.USA, 100, 2003
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1NKT
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![BU of 1nkt by Molmil](/molmil-images/mine/1nkt) | CRYSTAL STRUCTURE OF THE SECA PROTEIN TRANSLOCATION ATPASE FROM MYCOBACTERIUM TUBERCULOSIS COMPLEX WITH ADPBS | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Preprotein translocase secA 1 subunit | Authors: | Sharma, V, Arockiasamy, A, Ronning, D.R, Savva, C.G, Holzenburg, A, Braunstein, M, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2003-01-03 | Release date: | 2003-03-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.601 Å) | Cite: | Crystal Structure of M. tuberculosis SecA, A Preprotein Translocating ATPase Proc.Natl.Acad.Sci.USA, 100, 2003
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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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8FX9
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![BU of 8fx9 by Molmil](/molmil-images/mine/8fx9) | |
8FFF
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![BU of 8fff by Molmil](/molmil-images/mine/8fff) | |
4MQL
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![BU of 4mql by Molmil](/molmil-images/mine/4mql) | Crystal structure of Antigen 85C-C209S mutant | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 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 (1.3 Å) | Cite: | Mechanism of inhibition of Mycobacterium tuberculosis antigen 85 by ebselen. Nat Commun, 4, 2013
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4OJT
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![BU of 4ojt by Molmil](/molmil-images/mine/4ojt) | |
4QDT
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![BU of 4qdt by Molmil](/molmil-images/mine/4qdt) | |
8UQV
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![BU of 8uqv by Molmil](/molmil-images/mine/8uqv) | |
4OY3
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![BU of 4oy3 by Molmil](/molmil-images/mine/4oy3) | |
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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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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4QEK
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![BU of 4qek by Molmil](/molmil-images/mine/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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4QDO
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![BU of 4qdo by Molmil](/molmil-images/mine/4qdo) | |
4QDU
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![BU of 4qdu by Molmil](/molmil-images/mine/4qdu) | |
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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5VSJ
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![BU of 5vsj by Molmil](/molmil-images/mine/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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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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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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