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1NKT
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BU of 1nkt by Molmil
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
1M55
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BU of 1m55 by Molmil
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
8FFF
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BU of 8fff by Molmil
Crystal structure of Staphylococcus aureus D-alanine D-alanine ligase enzyme in complex with acetate
Descriptor: ACETATE ION, D-alanine--D-alanine ligase
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-12-08
Release date:2024-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Staphylococcus aureus counters organic acid anion-mediated inhibition of peptidoglycan cross-linking through robust alanine racemase activity.
Biorxiv, 2024
5VT4
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BU of 5vt4 by Molmil
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
5WAT
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BU of 5wat by Molmil
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
5VNS
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BU of 5vns by Molmil
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:2024-11-06
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
5WAS
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BU of 5was by Molmil
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
8FX9
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BU of 8fx9 by Molmil
Crystal strucutre of Mycobacterium tuberculosis Mycothiol-S-transferase enzyme
Descriptor: CHLORIDE ION, Mycothiol-S-transferase
Authors:Lindenberger, J.J, Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2023-01-24
Release date:2023-04-05
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
5W95
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BU of 5w95 by Molmil
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
4QDT
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BU of 4qdt by Molmil
Crystal structure of Antigen 85C co-crystallized with iodoacetamide
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDZ
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BU of 4qdz by Molmil
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
4QDX
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BU of 4qdx by Molmil
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
4QEK
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BU of 4qek by Molmil
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
4QDO
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BU of 4qdo by Molmil
Crystal structure of Ag85C co-crystallized with p-chloromercuribenzoic acid
Descriptor: ACETATE ION, Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QDU
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BU of 4qdu by Molmil
Crystal structure of Antigen 85C co-crystallized with ebselen
Descriptor: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
Authors:Favrot, L, Lajiness, D.H, Ronning, D.R.
Deposit date:2014-05-14
Release date:2014-07-09
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inactivation of the Mycobacterium tuberculosis Antigen 85 Complex by Covalent, Allosteric Inhibitors.
J.Biol.Chem., 289, 2014
4QE3
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BU of 4qe3 by Molmil
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
4MQL
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BU of 4mql by Molmil
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
4OY3
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BU of 4oy3 by Molmil
Crystal Structure of the Helicobacter pylori MTAN-D198N mutant with S-Adenosylhomocysteine in the active site
Descriptor: Aminodeoxyfutalosine nucleosidase, CHLORIDE ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Mishra, V, Ronning, D.R.
Deposit date:2014-02-10
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structures of the Helicobacter pylori MTAN enzyme reveal specific interactions between S-adenosylhomocysteine and the 5'-alkylthio binding subsite.
Biochemistry, 51, 2012
4MQM
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BU of 4mqm by Molmil
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
4OJT
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BU of 4ojt by Molmil
Helicobacter pylori MTAN complexed with S-ribosylhomocysteine and adenine
Descriptor: ADENINE, MTA/SAH nucleosidase, S-ribosylhomocysteine
Authors:Mishra, V, Ronning, D.R.
Deposit date:2014-01-21
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structures of the Helicobacter pylori MTAN enzyme reveal specific interactions between S-adenosylhomocysteine and the 5'-alkylthio binding subsite.
Biochemistry, 51, 2012
7RYT
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BU of 7ryt by Molmil
Crystal structure of Mycobacterium tuberculosis acetylated Homoserine transacetylase with Coenzyme A
Descriptor: COENZYME A, DI(HYDROXYETHYL)ETHER, Homoserine O-acetyltransferase, ...
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2021-08-26
Release date:2023-02-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
7SEX
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BU of 7sex by Molmil
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
7SEY
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BU of 7sey by Molmil
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
7SEW
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BU of 7sew by Molmil
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
7SF5
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BU of 7sf5 by Molmil
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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