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7NLW
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BU of 7nlw by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-(5-methoxy-1H-indol-3-yl)acetonitrile
分子名称: 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NOV
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BU of 7nov by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with (4-methyl-3-nitrophenyl)boronic acid.
分子名称: (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron, Ornithine carbamoyltransferase, PHOSPHATE ION
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-26
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NLF
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BU of 7nlf by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in apo form.
分子名称: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NLU
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BU of 7nlu by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 1-(1H-indol-3-yl)ethan-1-one
分子名称: 1-(1~{H}-indol-3-yl)ethanone, Acetylglutamate kinase, SULFATE ION
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NN7
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BU of 7nn7 by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with dimethyl 5-hydroxyisophthalate.
分子名称: 1,2-ETHANEDIOL, Acetylglutamate kinase, SULFATE ION, ...
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.172 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
7NNW
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BU of 7nnw by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl 4-hydroxy-3-iodobenzoate.
分子名称: Ornithine carbamoyltransferase, PHOSPHATE ION, methyl 3-iodanyl-4-oxidanyl-benzoate
著者Mendes, V, Gupta, P, Burgess, A, Sebastian-Perez, V, Cattermole, E, Meghir, C, Blundell, T.L.
登録日2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
3PYD
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BU of 3pyd by Molmil
crystal structure of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis
分子名称: 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, GLYCEROL
著者Shan, S, Chen, X.H, Liu, T, Zhao, H.C, Rao, Z.H, Lou, Z.Y.
登録日2010-12-13
公開日2012-01-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献The Structural Basis for anti-TB Drug Discovery targeting of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase (IspE) from Mycobacterium tuberculosis
To be Published
4ZJM
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BU of 4zjm by Molmil
Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763)
分子名称: CHLORIDE ION, GLYCEROL, Lipoprotein LpqH, ...
著者Arbing, M.A, Chan, S, Kuo, E, Harris, L.R, Zhou, T.T, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
登録日2015-04-29
公開日2015-05-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763)
To Be Published
6VVX
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BU of 6vvx by Molmil
Mycobacterium tuberculosis WT RNAP transcription initiation intermediate structure with Sorangicin
分子名称: DNA (63-MER), DNA (65-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Lilic, M, Boyaci, H, Chen, J, Campbell, E.A, Darst, S.A.
登録日2020-02-18
公開日2020-10-21
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.39 Å)
主引用文献The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
3NO9
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BU of 3no9 by Molmil
Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
分子名称: Fumarate hydratase class II
著者Li, H, Swanson, S, Yu, M, Hung, L.-W, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
登録日2010-06-25
公開日2010-07-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Crystal Structure of apo fumarate hydratase from Mycobacterium tuberculosis
To be Published
6DZS
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BU of 6dzs by Molmil
Mycobacterial homoserine dehydrogenase ThrA in complex with NADP
分子名称: Homoserine dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Chaton, C.T, Rodriguez, E.S, Korotkov, K.V.
登録日2018-07-05
公開日2018-07-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Structure of mycobacterial homoserine dehydrogenase ThrA
To be Published
7LD8
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BU of 7ld8 by Molmil
Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
分子名称: 1,2-ETHANEDIOL, Putative non-heme bromoperoxidase BpoC, SODIUM ION
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-01-12
公開日2021-01-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal Structure of Putative non-heme bromoperoxidase BpoC from Mycobacterium tuberculosis H37Rv
to be published
1H0R
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BU of 1h0r by Molmil
Type II Dehydroquinase from Mycobacterium tuberculosis complexed with 2,3-anhydro-quinic acid
分子名称: 2,3 -ANHYDRO-QUINIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ...
著者Roszak, A.W, Robinson, D.A, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J.
登録日2002-06-27
公開日2003-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Selectivity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
1GX3
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BU of 1gx3 by Molmil
M. smegmatis arylamine N-acetyl transferase
分子名称: ARYLAMINE N-ACETYLTRANSFERASE
著者Sandy, J, Mushtaq, A, Kawamura, A, Sinclair, J, Sim, E, Noble, M.
登録日2002-03-26
公開日2002-06-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Structure of Arylamine N-Acetyltransferase from Mycobacterium Smegmatis-an Enzyme which Inactivates the Anti-Tubercular Drug, Isoniazid
J.Mol.Biol., 318, 2002
3N8S
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BU of 3n8s by Molmil
Crystal Structure of BlaC-E166A covalently bound with Cefamandole
分子名称: (2R)-2-[(1R)-1-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-2-oxoethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-05-28
公開日2010-11-24
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants.
Biochemistry, 49, 2010
3P16
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BU of 3p16 by Molmil
Crystal structure of DNA polymerase III sliding clamp
分子名称: DNA polymerase III subunit beta
著者Gui, W.J, Lin, S.Q, Chen, Y.Y, Zhang, X.E, Bi, L.J, Jiang, T.
登録日2010-09-30
公開日2011-08-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Crystal structure of DNA polymerase III beta sliding clamp from Mycobacterium tuberculosis.
Biochem.Biophys.Res.Commun., 405, 2011
1H0S
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BU of 1h0s by Molmil
3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with 3-hydroxyimino-quinic acid
分子名称: 3-DEHYDROQUINATE DEHYDRATASE, 3-HYDROXYIMINO QUINIC ACID, GLYCEROL, ...
著者Roszak, A.W, Frederickson, M, Abell, C, Coggins, J.R, Lapthorn, A.J.
登録日2002-06-27
公開日2003-07-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Basis for Specificity of Oxime Based Inhibitors Towards Type II Dehydroquinase from Mycobacterium Tuberculosis
To be Published
6VGK
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BU of 6vgk by Molmil
ClpP1P2 complex from M. tuberculosis
分子名称: ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2
著者Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E.
登録日2020-01-08
公開日2020-03-18
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR.
Proc.Natl.Acad.Sci.USA, 117, 2020
3M6B
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BU of 3m6b by Molmil
Crystal Structure of the Ertapenem Pre-isomerized Covalent Adduct with TB B-lactamase
分子名称: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Fan, F, Blanchard, J.S.
登録日2010-03-15
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010
3HRH
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BU of 3hrh by Molmil
Crystal Structure of Antigen 85C and Glycerol
分子名称: Antigen 85-C, GLYCEROL
著者Boucau, J, Sanki, A.K, Umesiri, F.E, Sucheck, S.J, Ronning, D.R.
登録日2009-06-09
公開日2009-09-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design, synthesis and biological evaluation of sugar-derived esters, alpha-ketoesters and alpha-ketoamides as inhibitors for Mycobacterium tuberculosis antigen 85C.
Mol Biosyst, 5, 2009
1GN6
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BU of 1gn6 by Molmil
G152A mutant of Mycobacterium tuberculosis iron-superoxide dismutase.
分子名称: FE (III) ION, SUPEROXIDE DISMUTASE
著者Bunting, K.A, Cooper, J.B, Saward, S, Erskine, P.T, Badasso, M.O, Wood, S.P, Zhang, Y, Young, D.B.
登録日2001-10-03
公開日2001-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献X-Ray Structure Analysis of an Engineered Fe-Superoxide Dismutase Gly-Ala Mutant with Significantly Reduced Stability to Denaturant
FEBS Lett., 387, 1996
5E0N
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BU of 5e0n by Molmil
Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis
分子名称: Enoyl-CoA hydratase/isomerase
著者Priyadarshan, K, Haque, A.S, Anandakrishnan, M, Sankaranarayanan, R.
登録日2015-09-29
公開日2016-02-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.061 Å)
主引用文献Unsaturated Lipid Assimilation by Mycobacteria Requires Auxiliary cis-trans Enoyl CoA Isomerase.
Chem.Biol., 22, 2015
3NY4
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BU of 3ny4 by Molmil
Crystal Structure of BlaC-K73A bound with Cefamandole
分子名称: (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W, Blanchard, J.S.
登録日2010-07-14
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Structures of the Michaelis Complex (1.2 A) and the Covalent Acyl Intermediate (2.0 A) of Cefamandole Bound in the Active Sites of the Mycobacterium tuberculosis beta-Lactamase K73A and E166A Mutants.
Biochemistry, 49, 2010
3Q3S
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EthR from Mycobacterium tuberculosis in complex with compound BDM5683
分子名称: 2-(2-methylphenoxy)-N-[2-(4-methylphenyl)-2H-benzotriazol-5-yl]acetamide, HTH-type transcriptional regulator EthR
著者Lens, Z, Willand, N, Villeret, V.
登録日2010-12-22
公開日2012-01-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献EthR from Mycobacterium tuberculosis in complex with compound BDM5683
To be Published
3M6H
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Crystal Structure of Post-isomerized Ertapenem Covalent Adduct with TB B-lactamase
分子名称: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION
著者Tremblay, L.W.
登録日2010-03-15
公開日2010-04-14
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献Biochemical and structural characterization of Mycobacterium tuberculosis beta-lactamase with the carbapenems ertapenem and doripenem.
Biochemistry, 49, 2010

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