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8OTN
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BU of 8otn by Molmil
structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one
Descriptor: 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
6FV3
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BU of 6fv3 by Molmil
Crystal structure of N-acetyl-D-glucosamine-6-phosphate deacetylase from Mycobacterium smegmatis.
Descriptor: N-acetylglucosamine-6-phosphate deacetylase, ZINC ION
Authors:Ahangar, M.S, Furze, C.M, Guy, C.S, Cooper, C, Maskew, K.S, Graham, B, Cameron, A.D, Fullam, E.
Deposit date:2018-02-28
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structural and functional determination of homologs of theMycobacterium tuberculosis N-acetylglucosamine-6-phosphate deacetylase (NagA).
J. Biol. Chem., 293, 2018
7R50
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BU of 7r50 by Molmil
Crystal structure of GMP reductase from mycobacterium smegmatis in complex with GMP.
Descriptor: GMP reductase, GUANOSINE-5'-MONOPHOSPHATE
Authors:Dolezal, M, Klima, M, Pichova, I.
Deposit date:2022-02-09
Release date:2022-04-27
Last modified:2024-12-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The mycobacterial guaB1 gene encodes a guanosine 5'-monophosphate reductase with a cystathionine-beta-synthase domain.
Febs J., 289, 2022
8CGA
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BU of 8cga by Molmil
Structure of Mycobacterium tuberculosis dUTPase delta 133A-137S mutant
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Toth, Z.S, Benedek, A, Leveles, I, Vertessy, B.G.
Deposit date:2023-02-03
Release date:2024-05-15
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The homodimerization domain of the Stl repressor is crucial for efficient inhibition of mycobacterial dUTPase.
Sci Rep, 14, 2024
6H2T
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BU of 6h2t by Molmil
GlnH bound to Glu, Mycobacterium tuberculosis
Descriptor: GLUTAMIC ACID, Probable glutamine-binding lipoprotein GlnH (GLNBP)
Authors:O'Hare, H.M, Wallis, R, Lin, L.Y, Newland-Smith, Z.
Deposit date:2018-07-16
Release date:2018-07-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Aspartate-Specific Solute-Binding Protein Regulates Protein Kinase G Activity To Control Glutamate Metabolism in Mycobacteria.
MBio, 9, 2018
8ODQ
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BU of 8odq by Molmil
SufS-SufU complex from Mycobacterium tuberculosis
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Cysteine desulfurase, NITRATE ION, ...
Authors:Elchennawi, I, Carpentier, P, Caux, C, Ponge, M, Ollagnier de Choudens, S.
Deposit date:2023-03-09
Release date:2023-05-31
Last modified:2023-06-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Biochemical Characterization of Mycobacterium tuberculosis Zinc SufU-SufS Complex.
Biomolecules, 13, 2023
6G7D
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BU of 6g7d by Molmil
Structure of MeT1 from Mycobacterium hassiacum in complex with SAM and glycerol.
Descriptor: CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Pereira, P.J.B, Ripoll-Rozada, J.
Deposit date:2018-04-05
Release date:2019-01-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6G80
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BU of 6g80 by Molmil
Structure of Mycobacterium hassiacum MeT1 from orthorhombic crystals.
Descriptor: GLYCEROL, Methyltransferase domain protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Pereira, P.J.B, Ripoll-Rozada, J.
Deposit date:2018-04-06
Release date:2019-01-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Biosynthesis of mycobacterial methylmannose polysaccharides requires a unique 1-O-methyltransferase specific for 3-O-methylated mannosides.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
6NNC
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BU of 6nnc by Molmil
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
Deposit date:2019-01-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6NNH
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Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil
Descriptor: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ...
Authors:Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.523 Å)
Cite:Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
7RB1
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BU of 7rb1 by Molmil
Isocitrate Lyase-1 from Mycobacterium tuberculosis covalently modified by 5-descarboxy-5-nitro-D-isocitric acid
Descriptor: (3E)-3-(hydroxyimino)propanoic acid, GLYCEROL, GLYOXYLIC ACID, ...
Authors:Krieger, I.V, Mellott, D, Meek, T, Sacchettini, J.C.
Deposit date:2021-07-05
Release date:2021-12-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism-Based Inactivation of Mycobacterium tuberculosis Isocitrate Lyase 1 by (2 R ,3 S )-2-Hydroxy-3-(nitromethyl)succinic acid.
J.Am.Chem.Soc., 143, 2021
6H2C
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BU of 6h2c by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct derived from clavulanic acid.
Descriptor: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, ACETATE ION, Beta-lactamase, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6H2I
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BU of 6h2i by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of tazobactam.
Descriptor: ACETATE ION, Beta-lactamase, TAZOBACTAM INTERMEDIATE
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6NNI
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BU of 6nni by Molmil
Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, COBALT (II) ION, ...
Authors:Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.561 Å)
Cite:Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6NND
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BU of 6nnd by Molmil
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and dihydrofolate
Descriptor: COBALT (II) ION, DIHYDROFOLIC ACID, Dihydrofolate reductase, ...
Authors:Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B.
Deposit date:2019-01-14
Release date:2019-07-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates.
Acta Crystallogr D Struct Biol, 75, 2019
6H2K
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BU of 6h2k by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam.
Descriptor: ACETATE ION, Beta-lactamase, DI(HYDROXYETHYL)ETHER, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6H2H
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BU of 6h2h by Molmil
Structure of BlaC from Mycobacterium tuberculosis covalently bound to avibactam.
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, POLYETHYLENE GLYCOL (N=34)
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6H2G
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BU of 6h2g by Molmil
Structure of BlaC from Mycobacterium tuberculosis bound to the propionaldehyde ester adduct of clavulanic acid.
Descriptor: 3-oxidanylidenepropanoic acid, ACETATE ION, Beta-lactamase
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6H28
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BU of 6h28 by Molmil
Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the absence of DTT
Descriptor: Beta-lactamase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6H2A
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BU of 6h2a by Molmil
Structure of S70A BlaC from Mycobacterium tuberculosis obtained from crystals produced in the presence of DTT
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Beta-lactamase, GLYCEROL, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2018-07-13
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
6HOE
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BU of 6hoe by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44850
Descriptor: HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HNX
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BU of 6hnx by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM35133
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO1
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BU of 6ho1 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41974
Descriptor: GLYCEROL, HTH-type transcriptional regulator EthR, ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6HO5
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BU of 6ho5 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44719
Descriptor: 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
7PU7
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BU of 7pu7 by Molmil
DNA polymerase from M. tuberculosis
Descriptor: DNA polymerase III subunit alpha, Template, ZINC ION, ...
Authors:Borsellini, A, Lamers, M.H.
Deposit date:2021-09-28
Release date:2022-02-23
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:DNA-Dependent Binding of Nargenicin to DnaE1 Inhibits Replication in Mycobacterium tuberculosis.
Acs Infect Dis., 8, 2022

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數據於2025-07-09公開中

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