5CCD
 
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5CCE
 | | Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine | | Descriptor: | 5'-Methylthioadenosine Nucleosidase, ADENINE, S-ribosylhomocysteine, ... | | Authors: | Banco, M.T, Kovalevsky, A.Y, Ronning, D.R. | | Deposit date: | 2015-07-02 | | Release date: | 2016-11-16 | | Last modified: | 2023-09-27 | | Method: | NEUTRON DIFFRACTION (2.5 Å), X-RAY DIFFRACTION | | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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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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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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1MTO
 | | Crystal structure of a Phosphofructokinase mutant from Bacillus stearothermophilus bound with fructose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase | | Authors: | Riley-Lovingshimer, M.R, Ronning, D.R, Sacchettini, J.C, Reinhart, G.D. | | Deposit date: | 2002-09-21 | | Release date: | 2002-12-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Reversible Ligand-Induced Dissociation of a Tryptophan-Shift Mutant of Phosphofructokinase
from Bacillus stearothermophilus
Biochemistry, 41, 2002
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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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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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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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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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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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7RYT
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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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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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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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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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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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4OY3
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4OJT
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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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4QDT
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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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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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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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