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1KNC
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BU of 1knc by Molmil
Structure of AhpD from Mycobacterium tuberculosis, a novel enzyme with thioredoxin-like activity.
Descriptor: AhpD protein, SULFATE ION
Authors:Bryk, R, Lima, C.D, Erdjument-Bromage, H, Tempst, P, Nathan, C.
Deposit date:2001-12-18
Release date:2002-01-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolic enzymes of mycobacteria linked to antioxidant defense by a thioredoxin-like protein.
Science, 295, 2002
8U0Q
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BU of 8u0q by Molmil
Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A.
Deposit date:2023-08-29
Release date:2024-01-03
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors.
Acs Bio Med Chem Au, 3, 2023
2A8X
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BU of 2a8x by Molmil
Crystal Structure of Lipoamide Dehydrogenase from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Rajashankar, K.R, Bryk, R, Kniewel, R, Buglino, J.A, Nathan, C.F, Lima, C.D.
Deposit date:2005-07-10
Release date:2005-08-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure and functional analysis of lipoamide dehydrogenase from Mycobacterium tuberculosis
J.Biol.Chem., 280, 2005
4M52
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BU of 4m52 by Molmil
Structure of Mtb Lpd bound to SL827
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide
Authors:Lima, C.D.
Deposit date:2013-08-07
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipoamide channel-binding sulfonamides selectively inhibit mycobacterial lipoamide dehydrogenase.
Biochemistry, 52, 2013
3II4
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BU of 3ii4 by Molmil
Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide
Authors:Lima, C.D.
Deposit date:2009-07-31
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Triazaspirodimethoxybenzoyls as selective inhibitors of mycobacterial lipoamide dehydrogenase .
Biochemistry, 49, 2010
7KMY
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BU of 7kmy by Molmil
Structure of Mtb Lpd bound to 010705
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lima, C.D.
Deposit date:2020-11-03
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions.
Acs Infect Dis., 7, 2021
8CT4
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BU of 8ct4 by Molmil
Cryo-EM structure of Mtb Lpd bound to inhibitor complex with 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide
Descriptor: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide
Authors:Kochanczyk, T, Arango, N, Lima, C.D.
Deposit date:2022-05-13
Release date:2022-05-25
Last modified:2023-06-07
Method:ELECTRON MICROSCOPY (2.17 Å)
Cite:Cryo-EM structure of Mtb Lpd bound to the inhibitor 2-((2-cyano-N,5-dimethyl-1H-indole)-7-sulfonamido)-N-(4-(oxetan-3-yl)-3,4-dihydro-2H-benzo[b] [1,4]oxazin-7-yl)acetamide at 2.17 Angstrom resolution
Not published

217705

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