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3PGX
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BU of 3pgx by Molmil
Crystal structure of a putative carveol dehydrogenase from Mycobacterium paratuberculosis bound to nicotinamide adenine dinucleotide
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, carveol dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-11-02
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
3CXV
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BU of 3cxv by Molmil
Crystal structure of the Cytochrome P450 CYP121 A233G mutant from Mycobacterium tuberculosis
Descriptor: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Leys, D.
Deposit date:2008-04-25
Release date:2008-09-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Characterization of active site structure in CYP121. A cytochrome P450 essential for viability of Mycobacterium tuberculosis H37Rv.
J.Biol.Chem., 283, 2008
4CXR
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BU of 4cxr by Molmil
Mycobaterium tuberculosis transaminase BioA complexed with 1-(1,3- benzothiazol-2-yl)methanamine
Descriptor: 1,2-ETHANEDIOL, 1-(1,3-benzothiazol-2-yl)methanamine, ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE, ...
Authors:Dai, R, Geders, T.W, Finzel, B.C.
Deposit date:2014-04-08
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of Mycobacterium Tuberculosis Transaminase Bioa by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
1SMC
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BU of 1smc by Molmil
Mycobacterium tuberculosis dUTPase complexed with dUTP in the absence of metal ion.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
Authors:Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2004-03-09
Release date:2004-03-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
2BNN
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BU of 2bnn by Molmil
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis in complex with fosfomycin
Descriptor: EPOXIDASE, FOSFOMYCIN, ZINC ION
Authors:McLuskey, K, Cameron, S, Hunter, W.N.
Deposit date:2005-03-29
Release date:2005-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Reactivity of Hydroxypropylphosphonic Acid Epoxidase in Fosfomycin Biosynthesis by a Cation- and Flavin-Dependent Mechanism.
Proc.Natl.Acad.Sci.USA, 102, 2005
6PUX
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BU of 6pux by Molmil
Homoserine transacetylase MetX from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
Authors:Chaton, C.T, Korotkov, K.V.
Deposit date:2019-07-18
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
Sci Rep, 9, 2019
6H27
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BU of 6h27 by Molmil
Structure of S70C BlaC from Mycobacterium tuberculosis
Descriptor: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, BlaC
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 (1.63 Å)
Cite:New Conformations of Acylation Adducts of Inhibitors of beta-Lactamase from Mycobacterium tuberculosis.
Biochemistry, 58, 2019
4DQU
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BU of 4dqu by Molmil
Mycobacterium tuberculosis InhA-D148G mutant in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Pojer, F, Hartkoorn, R.C, Boy, S, Cole, S.T.
Deposit date:2012-02-16
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Towards a new tuberculosis drug: pyridomycin - nature's isoniazid.
EMBO Mol Med, 4, 2012
8PNL
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BU of 8pnl by Molmil
Outward-open conformation of a Major Facilitator Superfamily (MFS) transporter MHAS2168, a homologue of Rv1410 from M. tuberculosis, in complex with an alpaca nanobody
Descriptor: Nb_H2, Putative triacylglyceride transporter
Authors:Remm, S, Schoeppe, J, Hutter, C.A.J, Gonda, I, Seeger, M.A.
Deposit date:2023-06-30
Release date:2023-10-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for triacylglyceride extraction from mycobacterial inner membrane by MFS transporter Rv1410.
Nat Commun, 14, 2023
2BJB
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BU of 2bjb by Molmil
Mycobacterium Tuberculosis Epsp Synthase In Unliganded State
Descriptor: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE, ACETATE ION, SODIUM ION
Authors:Bourenkov, G.P, Kachalova, G.S, Strizhov, N, Bruning, M, Vagin, A, Bartunik, H.D.
Deposit date:2005-02-01
Release date:2006-03-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mycobacterium Tuberculosis Epsp Synthase in Unliganded State
To be Published
3PXX
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BU of 3pxx by Molmil
Crystal structure of carveol dehydrogenase from Mycobacterium avium bound to nicotinamide adenine dinucleotide
Descriptor: Carveol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-10
Release date:2010-12-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mycofactocin-associated mycobacterial dehydrogenases with non-exchangeable NAD cofactors.
Sci Rep, 7, 2017
5DRI
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BU of 5dri by Molmil
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid inhibitor
Descriptor: (2Z)-2-hydroxy-4-(1H-indol-5-yl)-4-oxobut-2-enoic acid, MAGNESIUM ION, Malate synthase G
Authors:Krieger, I.V, Huang, H.-L, Sacchettini, J.C.
Deposit date:2015-09-15
Release date:2016-09-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis Malate Synthase Structures with Fragments Reveal a Portal for Substrate/Product Exchange.
J. Biol. Chem., 291, 2016
1QTO
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BU of 1qto by Molmil
1.5 A CRYSTAL STRUCTURE OF A BLEOMYCIN RESISTANCE DETERMINANT FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS
Descriptor: BLEOMYCIN-BINDING PROTEIN
Authors:Kawano, Y, Kumagai, T, Muta, K, Matoba, Y, Davies, J, Sugiyama, M.
Deposit date:1999-06-28
Release date:2000-06-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 1.5 A crystal structure of a bleomycin resistance determinant from bleomycin-producing Streptomyces verticillus.
J.Mol.Biol., 295, 2000
7K09
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BU of 7k09 by Molmil
Puromycin N-acetyltransferase in complex with acetyl-CoA
Descriptor: ACETYL COENZYME *A, Puromycin N-acetyltransferase
Authors:Caputo, A.T, Newman, J, Adams, T.E, Peat, T.S.
Deposit date:2020-09-03
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
4XTX
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Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 57 with azide in place of ribose 2'OH
Descriptor: 1,2-ETHANEDIOL, 9-[2-azido-2-deoxy-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.30010319 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4UBW
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BU of 4ubw by Molmil
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
Descriptor: Acetyl-CoA acetyltransferase FadA5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Schaefer, C.M, Kisker, C.
Deposit date:2014-08-13
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:FadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Structure, 23, 2015
4XTY
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BU of 4xty by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 63 with Fluorine in place of 2'OH
Descriptor: 2',5'-dideoxy-2'-fluoro-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.80002666 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTW
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BU of 4xtw by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 46 with azide in place of 2'OH
Descriptor: 1,2-ETHANEDIOL, 2'-azido-2',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.30014467 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU2
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BU of 4xu2 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 87 with a 3'deoxy ribose
Descriptor: 3',5'-dideoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8500284 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTZ
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BU of 4xtz by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 69 that has a fluorine in place of the ribose 2'OH
Descriptor: 9-[2-deoxy-2-fluoro-5-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)-beta-D-arabinofuranosyl]-9H-purin-6-amine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.90000677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU0
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BU of 4xu0 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 73 that has a 2'-methyl on the ribose
Descriptor: 2'-C-methyl-5'-O-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)adenosine, Bifunctional ligase/repressor BirA
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.60000169 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
5YIO
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BU of 5yio by Molmil
NMR solution structure of subunit epsilon of the Mycobacterium tuberculosis F-ATP synthase
Descriptor: ATP synthase epsilon chain
Authors:Shin, J, Ragunathan, P, Sundararaman, L, Nartey, W, Manimekalai, M.S.S, Bogdanovic, N, Gruber, G.
Deposit date:2017-10-06
Release date:2018-10-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The NMR solution structure of Mycobacterium tuberculosis F-ATP synthase subunit epsilon provides new insight into energy coupling inside the rotary engine.
FEBS J., 285, 2018
4XU3
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BU of 4xu3 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 90 that has an acyclic ether in place of the ribose
Descriptor: Bifunctional ligase/repressor BirA, CHLORIDE ION, N-({2-[(6-amino-9H-purin-9-yl)methoxy]ethyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.242677 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XTV
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BU of 4xtv by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 36 (N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide)
Descriptor: Bifunctional ligase/repressor BirA, N-({[(1R,3S)-3-(6-amino-9H-purin-9-yl)cyclopentyl]methyl}sulfamoyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45000839 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015
4XU1
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BU of 4xu1 by Molmil
Mycobacterium tuberculosis biotin ligase complexed with bisubstrate inhibitor 82 that incorporates a morpholine in place of the ribose
Descriptor: 1,2-ETHANEDIOL, Bifunctional ligase/repressor BirA, DIMETHYL SULFOXIDE, ...
Authors:De la Mora-Rey, T, Finzel, B.C.
Deposit date:2015-01-24
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.70001328 Å)
Cite:Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors.
J.Med.Chem., 58, 2015

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数据于2025-07-23公开中

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