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7XKZ
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BU of 7xkz by Molmil
Solution structure of subunit epsilon of the Mycobacterium abscessus F-ATP synthase
分子名称: ATP synthase epsilon chain
著者Shin, J, Grueber, G, Harikishore, A, Wong, C.F, Prya, R, Dick, T.
登録日2022-04-20
公開日2023-03-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Atomic solution structure of Mycobacterium abscessus F-ATP synthase subunit epsilon and identification of Ep1MabF1 as a targeted inhibitor.
Febs J., 289, 2022
2VP8
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BU of 2vp8 by Molmil
Structure of Mycobacterium tuberculosis Rv1207
分子名称: 1,2-ETHANEDIOL, DIHYDROPTEROATE SYNTHASE 2
著者Gengenbacher, M, Xu, T, Niyomwattanakit, P, Spraggon, G, Dick, T.
登録日2008-02-27
公開日2008-08-12
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Biochemical and Structural Characterization of the Putative Dihydropteroate Synthase Ortholog Rv1207 of Mycobacterium Tuberculosis.
Fems Microbiol.Lett., 287, 2008
3R5L
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BU of 3r5l by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayyar, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-18
公開日2012-01-18
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5R
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BU of 3r5r by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5P
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BU of 3r5p by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824
分子名称: Deazaflavin-dependent nitroreductase, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-19
公開日2012-01-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Y
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BU of 3r5y by Molmil
Structure of a Deazaflavin-dependent nitroreductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5W
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BU of 3r5w by Molmil
Structure of Ddn, the Deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824, with co-factor F420
分子名称: COENZYME F420, Deazaflavin-dependent nitroreductase
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
3R5Z
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BU of 3r5z by Molmil
Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420
分子名称: COENZYME F420, Putative uncharacterized protein, SULFATE ION
著者Cellitti, S.E, Shaffer, J, Jones, D.H, Mukherjee, T, Gurumurthy, M, Bursulaya, B, Boshoff, H.I.M, Choi, I, Nayya, A, Lee, Y.S, Cherian, J, Niyomrattanakit, P, Dick, T, Manjunatha, U.H, Barry, C.E, Spraggon, G, Geierstanger, B.H.
登録日2011-03-20
公開日2012-01-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.503 Å)
主引用文献Structure of Ddn, the deazaflavin-dependent nitroreductase from Mycobacterium tuberculosis involved in bioreductive activation of PA-824.
Structure, 20, 2012
2OZO
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BU of 2ozo by Molmil
Autoinhibited intact human ZAP-70
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Tyrosine-protein kinase ZAP-70
著者Deindl, S, Kadlecek, T.A, Brdicka, T, Cao, X, Weiss, A, Kuriyan, J.
登録日2007-02-26
公開日2007-05-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for the Inhibition of Tyrosine Kinase Activity of ZAP-70.
Cell(Cambridge,Mass.), 129, 2007
7U22
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BU of 7u22 by Molmil
Mycobacterium tuberculosis RNA polymerase sigma A holoenzyme open promoter complex containing UMN-7
分子名称: (9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Molodtsov, V, Ebright, R.H.
登録日2022-02-22
公開日2022-10-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.87 Å)
主引用文献Redesign of Rifamycin Antibiotics to Overcome ADP-Ribosylation-Mediated Resistance.
Angew.Chem.Int.Ed.Engl., 61, 2022
3E3U
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BU of 3e3u by Molmil
Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor
分子名称: N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide, NICKEL (II) ION, Peptide deformylase
著者Meng, W, Xu, M, Pan, S, Koehn, J.
登録日2008-08-08
公開日2009-01-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Peptide deformylase inhibitors of Mycobacterium tuberculosis: synthesis, structural investigations, and biological results.
Bioorg.Med.Chem.Lett., 18, 2008
6JOE
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BU of 6joe by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
分子名称: PHOSPHATE ION, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase, ...
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2019-03-20
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
6JOF
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BU of 6jof by Molmil
Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor
分子名称: tRNA (guanine-N(1)-)-methyltransferase, ~{N}-[[4-[(4-azanylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxidanylidene-3~{H}-thieno[2,3-d]pyrimidine-5-carboxamide
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2019-03-20
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
7VIL
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BU of 7vil by Molmil
Solution structure of subunit epsilon of the Mycobacterium abscessus F-ATP synthase
分子名称: ATP synthase epsilon chain
著者Shin, J, Grueber, G, Wong, C.F.
登録日2021-09-27
公開日2022-10-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Atomic solution structure of Mycobacterium abscessus F-ATP synthase subunit epsilon and identification of Ep1MabF1 as a targeted inhibitor.
Febs J., 289, 2022
2LX5
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BU of 2lx5 by Molmil
NMR solution structure of peptide epsilon(103-120) from Mycobacterium tuberculosis F-ATPsynthase
分子名称: ATP synthase epsilon chain
著者Basak, S, Rishikesan, S, Gruber, G.
登録日2012-08-14
公開日2012-11-07
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Variations of Subunit {varepsilon} of the Mycobacterium tuberculosis F1Fo ATP Synthase and a Novel Model for Mechanism of Action of the Tuberculosis Drug TMC207.
Antimicrob.Agents Chemother., 57, 2013
7Y5C
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BU of 7y5c by Molmil
Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Wong, C.F, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.7 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7Y5A
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BU of 7y5a by Molmil
Cryo-EM structure of the Mycolicibacterium smegmatis F1-ATPase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase gamma chain, ...
著者Wong, C.F, Saw, W.-G, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7Y5B
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BU of 7y5b by Molmil
Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Saw, W.-G, Wong, C.F, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7Y5D
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BU of 7y5d by Molmil
Cryo-EM structure of F-ATP synthase from Mycolicibacterium smegmatis (rotational state 3) (backbone)
分子名称: ATP synthase epsilon chain, ATP synthase gamma chain, ATP synthase subunit a, ...
著者Saw, W.-G, Wong, C.F, Grueber, G.
登録日2022-06-16
公開日2022-11-23
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (7.3 Å)
主引用文献Structural Elements Involved in ATP Hydrolysis Inhibition and ATP Synthesis of Tuberculosis and Nontuberculous Mycobacterial F-ATP Synthase Decipher New Targets for Inhibitors.
Antimicrob.Agents Chemother., 66, 2022
7KL8
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BU of 7kl8 by Molmil
Structure of F420 binding protein Rv1558 from Mycobacterium tuberculosis with F420 bound
分子名称: COENZYME F420, COENZYME F420-3, Deazaflavin-dependent nitroreductase, ...
著者Lee, B.M, Tan, L.L, Jackson, C.J.
登録日2020-10-29
公開日2021-03-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.469 Å)
主引用文献Potency boost of a Mycobacterium tuberculosis dihydrofolate reductase inhibitor by multienzyme F 420 H 2 -dependent reduction.
Proc.Natl.Acad.Sci.USA, 118, 2021
5YIO
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BU of 5yio by Molmil
NMR solution structure of subunit epsilon of the Mycobacterium tuberculosis F-ATP synthase
分子名称: ATP synthase epsilon chain
著者Shin, J, Ragunathan, P, Sundararaman, L, Nartey, W, Manimekalai, M.S.S, Bogdanovic, N, Gruber, G.
登録日2017-10-06
公開日2018-10-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献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
5ZHI
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BU of 5zhi by Molmil
Apo crystal structure of TrmD from Mycobacterium tuberculosis
分子名称: tRNA (guanine-N(1)-)-methyltransferase
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2018-03-13
公開日2019-03-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHM
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BU of 5zhm by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
分子名称: N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, S-ADENOSYLMETHIONINE, tRNA (guanine-N(1)-)-methyltransferase
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2018-03-13
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.76 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHK
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BU of 5zhk by Molmil
Crystal structure of TrmD from Mycobacterium tuberculosis in complex with active-site inhibitor
分子名称: N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2018-03-13
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
5ZHN
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BU of 5zhn by Molmil
Crystal structure of TrmD from Pseudomonas aeruginosa in complex with active-site inhibitor
分子名称: N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C.
登録日2018-03-13
公開日2019-03-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019

 

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