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5DJJ
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Structure of M. tuberculosis CysQ, a PAP phosphatase with PO4 and 2Mg bound
分子名称: 3'-phosphoadenosine 5'-phosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Fisher, A.J, Erickson, A.I.
登録日2015-09-02
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.501 Å)
主引用文献Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound.
Biochemistry, 54, 2015
6QMF
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BU of 6qmf by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-[3-(1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
分子名称: 3-indol-1-ylpropanoic acid, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase
著者Blaszczyk, M, Blundell, T.L.
登録日2019-02-07
公開日2020-02-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.771 Å)
主引用文献Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
5DJK
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Structure of M. tuberculosis CysQ, a PAP phosphatase with PO4 and 2Ca bound
分子名称: 3'-phosphoadenosine 5'-phosphate phosphatase, CALCIUM ION, PHOSPHATE ION, ...
著者Fisher, A.J, Erickson, A.I.
登録日2015-09-02
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound.
Biochemistry, 54, 2015
5DQN
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BU of 5dqn by Molmil
Polyethylene 600-bound form of P450 CYP125A3 mutant from Myobacterium Smegmatis - W83Y
分子名称: CITRIC ACID, Cytochrome P450 CYP125, PENTAETHYLENE GLYCOL, ...
著者Ortiz de Montellano, P.J, Frank, D.J, Waddling, C.A.
登録日2015-09-15
公開日2015-11-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.262 Å)
主引用文献Cytochrome P450 125A4, the Third Cholesterol C-26 Hydroxylase from Mycobacterium smegmatis.
Biochemistry, 54, 2015
4U0H
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BU of 4u0h by Molmil
Crystal Structure of M. tuberculosis ClpP1P1
分子名称: ATP-dependent Clp protease proteolytic subunit 1, SULFATE ION
著者Schmitz, K.R, Carney, D.W, Sello, J.K, Sauer, R.T.
登録日2014-07-11
公開日2014-10-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2479 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis ClpP1P2 suggests a model for peptidase activation by AAA+ partner binding and substrate delivery.
Proc.Natl.Acad.Sci.USA, 111, 2014
5DQL
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BU of 5dql by Molmil
Crystal Structure of 2-vinyl glyoxylate modified isocitrate lyase from Mycobacterium tuberculosis
分子名称: 4-hydroxy-2-oxobutanoic acid, Isocitrate lyase 1, MAGNESIUM ION
著者Huang, H.-L, Meek, T.D.
登録日2015-09-14
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Mechanism-based inactivator of isocitrate lyases 1 and 2 from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6C32
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BU of 6c32 by Molmil
Mycobacterium smegmatis RimJ with AcCoA
分子名称: ACETYL COENZYME *A, Acetyltransferase, GNAT family protein
著者Favrot, L, Hegde, S.S, Blanchard, J.S.
登録日2018-01-09
公開日2019-01-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
6N39
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BU of 6n39 by Molmil
Crystal structure of an dephospho-CoA kinase CoaE from Mycobacterium paratuberculosis
分子名称: ACETATE ION, Dephospho-CoA kinase
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-11-14
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure of an dephospho-CoA kinase CoaE from Mycobacterium paratuberculosis
to be published
7KMY
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Structure of Mtb Lpd bound to 010705
分子名称: Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Lima, C.D.
登録日2020-11-03
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Whole Cell Active Inhibitors of Mycobacterial Lipoamide Dehydrogenase Afford Selectivity over the Human Enzyme through Tight Binding Interactions.
Acs Infect Dis., 7, 2021
4XJM
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BU of 4xjm by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: 3-{1-[(5-acetylthiophen-2-yl)carbonyl]piperidin-4-yl}-N-(3-methoxyphenyl)propanamide, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University of Minnesota, 2015
5CPF
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BU of 5cpf by Molmil
Compensation of the effect of isoleucine to alanine mutation by designed inhibition in the InhA enzyme
分子名称: 2-(2-methylphenoxy)-5-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Li, H.-J, Lai, C.-T, Pan, P, Yu, W, Shah, S, Bommineni, G.R, Perrone, V, Garcia-Diaz, M, Tonge, P.J, Simmerling, C.
登録日2015-07-21
公開日2015-08-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.409 Å)
主引用文献Rational Modulation of the Induced-Fit Conformational Change for Slow-Onset Inhibition in Mycobacterium tuberculosis InhA.
Biochemistry, 54, 2015
4PVV
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BU of 4pvv by Molmil
Micobacterial Adenosine Kinase in complex with inhibitor
分子名称: 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Adenosine kinase
著者Pichova, I, Hocek, M, Dostal, J, Rezacova, P.
登録日2014-03-18
公開日2014-11-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Inhibition of Mycobacterial and Human Adenosine Kinase by 7-Substituted 7-(Het)aryl-7-deazaadenine Ribonucleosides
J.Med.Chem., 57, 2014
3ORL
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BU of 3orl by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 3)
分子名称: MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Echols, N, Lombana, T.N, Thomsen, N.D, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Structure, 18, 2010
3ORP
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BU of 3orp by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 5)
分子名称: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Good, M.C, Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Structure, 18, 2010
3ORT
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BU of 3ort by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 6)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine protein kinase
著者Good, M.C, Echols, N, Lombana, T.N, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Structure, 18, 2010
3ORK
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BU of 3ork by Molmil
Mycobacterium tuberculosis PknB kinase domain L33D mutant (crystal form 2)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MANGANESE (II) ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Echols, N, Lombana, T.N, Thomsen, N.D, Ng, H.-L, Alber, T, TB Structural Genomics Consortium (TBSGC)
登録日2010-09-07
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Structure, 18, 2010
4XJL
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BU of 4xjl by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a HTS lead compound
分子名称: Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, DI(HYDROXYETHYL)ETHER, N-(1,2,3-benzothiadiazol-5-yl)-4-phenylpiperazine-1-carboxamide, ...
著者Finzel, B.C, Dai, R.
登録日2015-01-08
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Fragment based inhibitor design of Mycobacterium tuberculosis BioA (http://hdl.handle.net/11299/171084)
Thesis, University Of Minnesota, 2015
5DTP
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BU of 5dtp by Molmil
Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form)
分子名称: Probable enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
7NBU
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BU of 7nbu by Molmil
Structure of the HigB1 toxin mutant K95A from Mycobacterium tuberculosis (Rv1955) and its target, the cspA mRNA, on the E. coli Ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Giudice, E, Mansour, M, Chat, S, D'Urso, G, Gillet, R, Genevaux, P.
登録日2021-01-27
公開日2022-03-02
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.11 Å)
主引用文献Substrate recognition and cryo-EM structure of the ribosome-bound TAC toxin of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
5DTW
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BU of 5dtw by Molmil
Crystal structure of M. tuberculosis EchA6 bound to C20-CoA
分子名称: Arachinoyl-CoA, enoyl-CoA hydratase echA6
著者Cox, J.A.G, Besra, G.S, Futterer, K.
登録日2015-09-18
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.439 Å)
主引用文献THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
4Q1S
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Yeast 20S proteasome in Complex with Kendomycin
分子名称: (5R,6R,7S,8R,9R,12S,13E,16S,18S,19R,20aR)-4,7,19-trihydroxy-2,6,8,12,14,16,18-heptamethyl-6,7,8,9,10,11,12,15,16,17,18,19,20,20a-tetradecahydro-1,19:5,9-diepoxybenzo[18]annulen-3(5H)-one, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ...
著者Beck, P, Heinemeyer, W, Spaeth, A, Elnakady, Y, Mueller, R, Groll, M.
登録日2014-04-04
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Interactions of the natural product kendomycin and the 20S proteasome.
J.Mol.Biol., 426, 2014
7MU0
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BU of 7mu0 by Molmil
MtbEttA in the ADP bound state
分子名称: ADENOSINE-5'-DIPHOSPHATE, Energy-dependent translational throttle protein EttA, MAGNESIUM ION
著者Cui, Z, Zhang, J.
登録日2021-05-14
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Interplay between an ATP-binding cassette F protein and the ribosome from Mycobacterium tuberculosis.
Nat Commun, 13, 2022
7NLY
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BU of 7nly by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with 2-Chlorobenzimidazole.
分子名称: 2-chloranyl-1~{H}-benzimidazole, 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 (2.246 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
7NNF
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Crystal structure of Mycobacterium tuberculosis ArgF in apo form.
分子名称: 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2021-02-24
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 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
7NOS
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BU of 7nos by Molmil
Crystal structure of Mycobacterium tuberculosis ArgF in complex with 4-bromo-6-(trifluoromethyl)-1H-benzo[d]imidazole.
分子名称: 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole, 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2021-02-25
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 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

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