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6QQY
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BU of 6qqy by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QR6
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BU of 6qr6 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QO4
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BU of 6qo4 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 3 (2-(5-Isoxazolyl) phenol)
分子名称: 2-(1,2-oxazol-5-yl)phenol, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOE
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BU of 6qoe by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 8 (3-[(2-thienylthio)methyl]benzoic acid)
分子名称: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOL
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BU of 6qol by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 15 (6-quinoxalinamine)
分子名称: quinoxalin-6-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOR
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BU of 6qor by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 21 (2-Amino-3-nitrophenol)
分子名称: 2-azanyl-3-nitro-phenol, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QO2
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BU of 6qo2 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 1 (1H-Indole-5-carboxamide)
分子名称: 1~{H}-indole-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOI
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BU of 6qoi by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 12 (2-Aminobenzothiazole)
分子名称: 1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOQ
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BU of 6qoq by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 20 (6-Aminobenzothiazole)
分子名称: 1,3-benzothiazol-6-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOX
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BU of 6qox by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 27 (Methyl 2-(hydroxymethyl)-6H-thieno[2,3-b]pyrrole-5-carboxylate)
分子名称: methyl 2-(hydroxymethyl)-6~{H}-thieno[2,3-b]pyrrole-5-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOD
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BU of 6qod by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 7 (2-Amino-6-fluorobenzothiazole)
分子名称: 6-fluoro-1,3-benzothiazol-2-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOJ
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BU of 6qoj by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 13 (4-Hydroxyquinazoline)
分子名称: 3,4-dihydroquinazolin-4-ol, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.023 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOP
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BU of 6qop by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 19 (5-fluoroquinazolin-4-ol)
分子名称: 5-fluoranyl-3,4-dihydroquinazolin-4-ol, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.912 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOW
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BU of 6qow by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 26 (6-methoxybenzothiazole-2-carboxylic acid)
分子名称: 6-methoxy-1,3-benzothiazole-2-carboxylic acid, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-12
公開日2020-02-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QQS
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BU of 6qqs by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
分子名称: 3-(1~{H}-indol-6-yl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase
著者Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
登録日2019-02-19
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6KHT
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BU of 6kht by Molmil
Chimeric beta-glucosidase Cel1b-H13
分子名称: Glycoside hydrolase family 1
著者Niu, K.L.
登録日2019-07-16
公開日2021-01-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.305 Å)
主引用文献Chimeric beta-glucosidase Cel1b-H13
To Be Published
2BYO
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BU of 2byo by Molmil
Crystal structure of Mycobacterium tuberculosis lipoprotein LppX (Rv2945c)
分子名称: ACETATE ION, ALPHA-LINOLENIC ACID, D-MALATE, ...
著者Sulzenbacher, G, Canaan, S, Roig-Zamboni, V, Maurin, D, Gicquel, B, Bourne, Y.
登録日2005-08-03
公開日2006-03-22
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Lppx is a Lipoprotein Required for the Translocation of Phthiocerol Dimycocerosates to the Surface of Mycobacterium Tuberculosis.
Embo J., 25, 2006
4DE7
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BU of 4de7 by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mg2+ and uridine-diphosphate (UDP)
分子名称: GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, URIDINE-5'-DIPHOSPHATE
著者Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E.
登録日2012-01-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
4DEC
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BU of 4dec by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA)
分子名称: 3-PHOSPHOGLYCERIC ACID, GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, ...
著者Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E.
登録日2012-01-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
5WM9
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BU of 5wm9 by Molmil
Crystal Structure of TetR family regulator Rv0078 from Mycobacterium tuberculosis
分子名称: Rv0078, SULFATE ION
著者Hsu, H.C, Li, H.
登録日2017-07-28
公開日2018-07-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85000288 Å)
主引用文献Cytokinin Signaling in Mycobacterium tuberculosis.
MBio, 9, 2018
7MCJ
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BU of 7mcj by Molmil
Crystal Structure of S-adenosylmethionine-dependent methyltransferase UmaA from Mycobacterium tuberculosis in complex with compound 8918
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2021-04-02
公開日2022-04-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of S-adenosylmethionine-dependent methyltransferase UmaA from Mycobacterium tuberculosis in complex with compound 8918
to be published
8F5V
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BU of 8f5v by Molmil
Crystal structure of Mycobacterium tuberculosis Mycothiol S-transferase enzyme in complex with mycothiol and Zn2+
分子名称: Conserved protein, Mycothiol, ZINC ION
著者Jayasinghe, Y.P, Ronning, D.R.
登録日2022-11-15
公開日2023-04-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Mycobacterium tuberculosis mycothiol S -transferase is divalent metal-dependent for mycothiol binding and transfer.
Rsc Med Chem, 14, 2023
5JQQ
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BU of 5jqq by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form
分子名称: GLYCEROL, Glucosyl-3-phosphoglycerate synthase
著者Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E.
登録日2016-05-05
公開日2016-12-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis - apo form
To Be Published
5F31
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BU of 5f31 by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group
分子名称: ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ...
著者Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016
5F2Z
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BU of 5f2z by Molmil
Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group
分子名称: PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase
著者Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E.
登録日2015-12-02
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA.
Nat Commun, 7, 2016

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