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6VUS
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BU of 6vus by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT379
分子名称: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide, GLYCEROL, N-acetyltransferase Eis
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VV2
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BU of 6vv2 by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348
分子名称: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VUX
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BU of 6vux by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388
分子名称: 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
6VUY
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BU of 6vuy by Molmil
Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT358
分子名称: (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Punetha, A, Hou, C, Ngo, H.X, Garneau-Tsodikova, S, Tsodikov, O.V.
登録日2020-02-16
公開日2020-06-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis.
Acs Chem.Biol., 15, 2020
9MQZ
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BU of 9mqz by Molmil
Structure of mycobacterial NDH2 (type II NADH:quinone oxidoreductase) with 2-mercapto-quinazolinone inhibitor.
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, N-cyclohexyl-2-[(4-oxo-1,4-dihydroquinazolin-2-yl)sulfanyl]acetamide, NADH:ubiquinone reductase (non-electrogenic)
著者Liang, Y, Rubinstein, J.L.
登録日2025-01-06
公開日2025-01-22
最終更新日2025-05-28
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of Mycobacterial NDH-2 Bound to a 2-Mercapto-Quinazolinone Inhibitor.
J.Med.Chem., 68, 2025
9MQY
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BU of 9mqy by Molmil
Structure of mycobacterial NDH2 (type II NADH:quinone oxidoreductase)
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NADH:ubiquinone reductase (non-electrogenic)
著者Liang, Y, Rubinstein, J.L.
登録日2025-01-06
公開日2025-01-22
最終更新日2025-05-21
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structure of Mycobacterial NDH-2 Bound to a 2-Mercapto-Quinazolinone Inhibitor.
J.Med.Chem., 68, 2025
6PLE
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BU of 6ple by Molmil
Crystal structure of MhuD R26S mutant in complex with biliverdin
分子名称: BILIVERDINE IX ALPHA, Heme oxygenase (mycobilin-producing)
著者Chao, A, Goulding, C.W.
登録日2019-06-30
公開日2019-11-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of aMycobacterium tuberculosisHeme-Degrading Protein, MhuD, Variant in Complex with Its Product.
Biochemistry, 58, 2019
6H40
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BU of 6h40 by Molmil
High resolution structure of MeT1 from Mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.
分子名称: (2~{S})-3-methoxypropane-1,2-diol, CHLORIDE ION, GLYCEROL, ...
著者Pereira, P.J.B, Ripoll-Rozada, J.
登録日2018-07-20
公開日2019-01-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.053 Å)
主引用文献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
8HPM
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BU of 8hpm by Molmil
LpqY-SugABC in state 2
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.82 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPN
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BU of 8hpn by Molmil
LpqY-SugABC in state 3
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.55 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPS
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BU of 8hps by Molmil
LpqY-SugABC in state 5
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPL
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BU of 8hpl by Molmil
LpqY-SugABC in state 1
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (4.29 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
8HPR
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BU of 8hpr by Molmil
LpqY-SugABC in state 4
分子名称: ABC sugar transporter, permease component, ABC transporter, ...
著者Liang, J, Yang, X, Zhang, B, Rao, Z, Liu, F.
登録日2022-12-12
公開日2023-09-06
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Structural insights into trehalose capture and translocation by mycobacterial LpqY-SugABC.
Structure, 31, 2023
5UHB
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BU of 5uhb by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with Rifampin
分子名称: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (4.29 Å)
主引用文献Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHF
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BU of 5uhf by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336
分子名称: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*CP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (4.345 Å)
主引用文献Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
5UHA
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BU of 5uha by Molmil
Crystal structure of Mycobacterium tuberculosis transcription initiation complex
分子名称: DNA (5'-D(*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
著者Lin, W, Das, K, Feng, Y, Ebright, R.H.
登録日2017-01-11
公開日2017-04-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.906 Å)
主引用文献Structural Basis of Mycobacterium tuberculosis Transcription and Transcription Inhibition.
Mol. Cell, 66, 2017
9MVA
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BU of 9mva by Molmil
Mycobacterium abscessus Eis2 in complex with Non-hydrolyzable CoenzymeA
分子名称: 1,2-ETHANEDIOL, Amikacin resistance N-acetyltransferase Eis2, CHLORIDE ION, ...
著者Jayasinghe, T.D, Coker, A.L, Rajendra, T, Miller, D, Lee, R.E.
登録日2025-01-15
公開日2025-01-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mycobacterium abscessus Eis2 in complex with Non-hydrolyzable CoenzymeA
To Be Published
5BQA
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BU of 5bqa by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin C
分子名称: ATP synthase subunit 9, mitochondrial, oligomycin C
著者Symersky, J, Xu, T, Mueller, D.M.
登録日2015-05-28
公開日2015-08-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the yeast F1FO ATPase C10 ring with oligomycin C
To be Published
5BQ6
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BU of 5bq6 by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin B
分子名称: ATP synthase subunit 9, mitochondrial, oligomycin B
著者Symersky, J, Xu, T, Mueller, D.M.
登録日2015-05-28
公開日2015-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the yeast F1FO ATPase C10 ring with oligomycin B
To be Published
5BPS
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BU of 5bps by Molmil
Structure of the yeast F1FO ATPase C10 ring with oligomycin A
分子名称: ATP synthase subunit 9, mitochondrial, Oligomycin A
著者Symersky, J, Xu, T, Mueller, D.M.
登録日2015-05-28
公開日2015-08-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the yeast F1FO ATPase C10 ring with oligomycin A
To be Published
3WDE
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BU of 3wde by Molmil
Mutant N-terminal domain of Mycobacterium tuberculosis ClpC1, F80Y, bound to Cyclomarin A
分子名称: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
著者Vasudevan, D, Noble, C.G.
登録日2013-06-14
公開日2013-09-18
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013
3WDD
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BU of 3wdd by Molmil
Mutant N-terminal domain of Mycobacterium tuberculosis ClpC1, F2Y, bound to Cyclomarin A
分子名称: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
著者Vasudevan, D, Noble, C.G.
登録日2013-06-14
公開日2013-09-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013
3WDC
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BU of 3wdc by Molmil
N-terminal domain of Mycobacterium tuberculosis ClpC1 bound to Cyclomarin A
分子名称: ACETATE ION, Cyclomarin A, Probable ATP-dependent Clp protease ATP-binding subunit
著者Vasudevan, D, Noble, C.G.
登録日2013-06-14
公開日2013-09-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献Structural basis of mycobacterial inhibition by cyclomarin A
J.Biol.Chem., 288, 2013
7Y41
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BU of 7y41 by Molmil
Mycobacterium smegmatis 50S ribosomal subunit from Log Phase of growth
分子名称: 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
著者Sengupta, J, Baid, P.
登録日2022-06-13
公開日2023-05-03
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Cryo-EM captures a unique conformational rearrangement in 23S rRNA helices of the Mycobacterium 50S subunit.
Int.J.Biol.Macromol., 253, 2023
4W1X
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BU of 4w1x by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with 1-(4-(4-(3-chlorobenzoyl)piperazin-1-yl)phenyl)ethanone
分子名称: 1,2-ETHANEDIOL, 1-{4-[4-(3-chlorobenzoyl)piperazin-1-yl]phenyl}ethanone, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015

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件を2025-07-09に公開中

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