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PDB: 15 件
4P8N
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BU of 4p8n by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN118
分子名称: 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4NCR
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BU of 4ncr by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with PBTZ169
分子名称: 2-(4-(cyclohexylmethyl)piperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, bound form, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2013-10-25
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Towards a new combination therapy for tuberculosis with next generation benzothiazinones.
EMBO Mol Med, 6, 2014
4P8C
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BU of 4p8c by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127
分子名称: (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8Y
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BU of 4p8y by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty21c
分子名称: 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-04-01
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8L
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BU of 4p8l by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c
分子名称: 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4FEH
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BU of 4feh by Molmil
Mycobacterium tuberculosis DprE1 - hexagonal crystal form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-30
公開日2012-07-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.035 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4P8M
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BU of 4p8m by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114
分子名称: (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8P
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BU of 4p8p by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127
分子名称: (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4FDP
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BU of 4fdp by Molmil
Mycobacterium tuberculosis DprE1 - monoclinic crystal form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, oxidoreductase DprE1
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-29
公開日2012-07-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FDN
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BU of 4fdn by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - hexagonal crystal form
分子名称: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-29
公開日2012-07-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FDO
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BU of 4fdo by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT319
分子名称: 3-nitro-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, oxidoreductase DprE1
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-29
公開日2012-07-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4P8K
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BU of 4p8k by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty38c
分子名称: 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, Probable decaprenylphosphoryl-beta-D-ribose oxidase
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-03-31
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4P8T
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BU of 4p8t by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129
分子名称: (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Neres, J, Pojer, F, Cole, S.T.
登録日2014-04-01
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献2-Carboxyquinoxalines Kill Mycobacterium tuberculosis through Noncovalent Inhibition of DprE1.
Acs Chem.Biol., 10, 2015
4FF6
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BU of 4ff6 by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form
分子名称: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-31
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
4P8H
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BU of 4p8h by Molmil
Crystal structure of M. tuberculosis DprE1 in complex with the nitro-benzothiazole 6a
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Probable decaprenylphosphoryl-beta-D-ribose oxidase, {(4S)-2-[7-(hydroxyamino)-6-methyl-5-(trifluoromethyl)-1,3-benzothiazol-2-yl]-4,5-dihydro-1,3-oxazol-4-yl}(pyrrolidin-1-yl)methanone
著者Neres, J, Cole, S.T.
登録日2014-03-31
公開日2015-10-28
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Non-mutagenic Nitrobenzothiazoles as Novel Anti-tubercular Agents: A Balance between Potency and Electron Affinity
To Be Published

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件を2024-07-31に公開中

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