8GKF
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4M52
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![BU of 4m52 by Molmil](/molmil-images/mine/4m52) | 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
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6CT5
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6UNC
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3KRD
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7KMY
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![BU of 7kmy by Molmil](/molmil-images/mine/7kmy) | 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
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2FHH
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8CT4
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![BU of 8ct4 by Molmil](/molmil-images/mine/8ct4) | 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: | 2024-06-12 | 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
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5THO
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![BU of 5tho by Molmil](/molmil-images/mine/5tho) | Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205 | Descriptor: | N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta | Authors: | Hsu, H.C, Li, H. | Deposit date: | 2016-09-30 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome. Biochemistry, 56, 2017
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3FP9
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3HFA
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3H6I
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3H6F
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3II4
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3HF9
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8DMO
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![BU of 8dmo by Molmil](/molmil-images/mine/8dmo) | Structure of open, inward-facing MsbA from E. coli | Descriptor: | ATP-binding transport protein MsbA | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2022-07-08 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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8DMM
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![BU of 8dmm by Molmil](/molmil-images/mine/8dmm) | Structure of the vanadate-trapped MsbA bound to KDL | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2022-07-08 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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8DHY
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![BU of 8dhy by Molmil](/molmil-images/mine/8dhy) | N-terminal fragment of MsbA fused to GFP in complex with copper(II) | Descriptor: | COPPER (II) ION, Fusion protein of MsbA N-terminal fragment and GFP,Green fluorescent protein | Authors: | Schrecke, S.R, Zhang, T, Lyu, J, Laganowsky, A. | Deposit date: | 2022-06-28 | Release date: | 2022-12-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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3BLK
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![BU of 3blk by Molmil](/molmil-images/mine/3blk) | Role of aromatic residues in starch binding | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase 1, ... | Authors: | Ramasubbu, N. | Deposit date: | 2007-12-11 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-function relationships in human salivary alpha-amylase: role of aromatic residues in a secondary binding site Biologia, 63, 2008
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3BLP
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![BU of 3blp by Molmil](/molmil-images/mine/3blp) | Role of aromatic residues in human salivary alpha-amylase | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase 1, ... | Authors: | Ramasubbu, N. | Deposit date: | 2007-12-11 | Release date: | 2008-11-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-function relationships in human salivary alpha-amylase: role of aromatic residues in a secondary binding site Biologia, 63, 2008
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7KFZ
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![BU of 7kfz by Molmil](/molmil-images/mine/7kfz) | Structure of a ternary KRas(G13D)-SOS complex | Descriptor: | GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Liu, C, Moghadamchargari, Z, Laganowsky, A, Zhao, M. | Deposit date: | 2020-10-15 | Release date: | 2021-03-31 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Molecular assemblies of the catalytic domain of SOS with KRas and oncogenic mutants. Proc.Natl.Acad.Sci.USA, 118, 2021
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2YAT
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![BU of 2yat by Molmil](/molmil-images/mine/2yat) | Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex | Descriptor: | ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ... | Authors: | Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L. | Deposit date: | 2011-02-24 | Release date: | 2011-06-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.602 Å) | Cite: | Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators. J.Med.Chem., 54, 2011
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