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4UNR
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BU of 4unr by Molmil
Mtb TMK in complex with compound 23
分子名称: 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNN
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BU of 4unn by Molmil
Mtb TMK in complex with compound 8
分子名称: 4-[3-cyano-6-(3-methoxyphenyl)-2-oxo-1H-pyridin-4-yl]benzoic acid, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-29
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNP
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BU of 4unp by Molmil
Mtb TMK in complex with compound 34
分子名称: 5-methyl-7-propyl-1,6-naphthyridin-2(1H)-one, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-01-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNQ
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BU of 4unq by Molmil
Mtb TMK in complex with compound 36
分子名称: 4-[(R)-methylsulfinyl]-2-oxo-6-[3-(trifluoromethoxy)phenyl]-1,2-dihydropyridine-3-carbonitrile, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4UNS
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BU of 4uns by Molmil
Mtb TMK in complex with compound 40
分子名称: N-[4-(3-CYANO-7-ETHYL-5-METHYL-2-OXO-1H-1,6-NAPHTHYRIDIN-4-YL)PHENYL]METHANESULFONAMIDE, SODIUM ION, THYMIDYLATE KINASE
著者Read, J.A, Hussein, S, Gingell, H, Tucker, J.
登録日2014-05-30
公開日2015-06-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
4B6C
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BU of 4b6c by Molmil
Structure of the M. smegmatis GyrB ATPase domain in complex with an aminopyrazinamide
分子名称: 6-(3,4-dimethylphenyl)-3-[[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrazine-2-carboxamide, DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit B, SODIUM ION
著者Tucker, J.A, Shirude, P.S, Madhavapeddi, P, Hussein, S, Basu, R, Ghorpade, S.
登録日2012-08-09
公開日2013-01-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aminopyrazinamides: novel and specific GyrB inhibitors that kill replicating and nonreplicating Mycobacterium tuberculosis.
ACS Chem. Biol., 8, 2013
5BZ3
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BU of 5bz3 by Molmil
CRYSTAL STRUCTURE OF SODIUM PROTON ANTIPORTER NAPA IN OUTWARD-FACING CONFORMATION.
分子名称: (2R)-2,3-DIHYDROXYPROPYL (7Z)-TETRADEC-7-ENOATE, Na(+)/H(+) antiporter
著者Coincon, M, Uzdavinys, P, Emmanuel, N, Cameron, A, Drew, D.
登録日2015-06-11
公開日2016-01-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016
5BZ2
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BU of 5bz2 by Molmil
CRYSTAL STRUCTURE OF THE SODIUM PROTON ANTIPORTER NAPA IN INWARD-FACING CONFORMATION
分子名称: Na(+)/H(+) antiporter
著者Coincon, M, Uzdavinys, P, Cameron, A, Drew, D.
登録日2015-06-11
公開日2016-01-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Crystal structures reveal the molecular basis of ion translocation in sodium/proton antiporters.
Nat.Struct.Mol.Biol., 23, 2016

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件を2024-07-10に公開中

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