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PDB: 477 results

6QQZ
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BU of 6qqz by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QR7
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BU of 6qr7 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: 5-azanyl-3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QMH
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BU of 6qmh by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 3-(1H-indol-3-yl)propanoic acid at 1.6A resolution.
Descriptor: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2019-02-07
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.837 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
6QOA
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BU of 6qoa by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 5 (Isoxazole-5-carboxamide)
Descriptor: 1,2-oxazole-5-carboxamide, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOF
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BU of 6qof by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 9 (Adenine)
Descriptor: 1,2-ETHANEDIOL, ADENINE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOH
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BU of 6qoh by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 11 (2-Amino-6-chloropurine)
Descriptor: 6-chloroguanine, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOM
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BU of 6qom by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 16 (2-Amino-3-nitropyridine)
Descriptor: 3-nitropyridin-2-amine, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOT
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BU of 6qot by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 23 (3-Amino-5-(4-methoxyphenyl)pyrazole)
Descriptor: 1,2-ETHANEDIOL, 3-(4-methoxyphenyl)-1~{H}-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOO
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BU of 6qoo by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 18 (Isoxazole-5-carbothioamide)
Descriptor: 1,2-oxazole-5-carbothioamide, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOU
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BU of 6qou by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 24 (Indole-6-boronic acid)
Descriptor: 1~{H}-indol-6-ylboronic acid, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QRE
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BU of 6qre by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QQQ
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BU of 6qqq by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QQU
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BU of 6qqu by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: 5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QR2
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BU of 6qr2 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: 5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QRD
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BU of 6qrd by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor
Descriptor: 5-azanyl-3-[1-[[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, SULFATE ION, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches.
J.Med.Chem., 62, 2019
6QO3
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BU of 6qo3 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 2 (5-Amino-3-(2-thienyl) pyrazole)
Descriptor: 3-thiophen-2-yl-1H-pyrazol-5-amine, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QO6
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BU of 6qo6 by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 4 (5-Methoxybenzimidazole)
Descriptor: 5-METHOXYBENZIMIDAZOLE, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.745 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOC
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BU of 6qoc by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 6 (2-(1,3-oxazol-5-yl) aniline)
Descriptor: 2-(1,3-oxazol-5-yl)aniline, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-03-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOK
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BU of 6qok by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 14 (Methyl 2-aminopyridine-4-carboxylate)
Descriptor: SULFATE ION, methyl 2-azanylpyridine-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QOS
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BU of 6qos by Molmil
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 22 (Ethyl 1H-pyrazole-4-carboxylate)
Descriptor: SULFATE ION, ethyl 1~{H}-pyrazole-4-carboxylate, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-02-26
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
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
Descriptor: 5-azanyl-3-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite: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
Descriptor: 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
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-19
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020
6QMF
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BU of 6qmf by Molmil
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in complex with 5-[3-(1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid at 1.8A resolution.
Descriptor: 3-indol-1-ylpropanoic acid, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase
Authors:Blaszczyk, M, Blundell, T.L.
Deposit date:2019-02-07
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Fragment linking applied to the discovery of Mycobacterium tuberculosis phosphopantetheine adenylyltransferase inhibitors
To Be Published
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)
Descriptor: 2-(1,2-oxazol-5-yl)phenol, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite: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)
Descriptor: 3-(thiophen-2-ylsulfanylmethyl)benzoic acid, tRNA (guanine-N(1)-)-methyltransferase
Authors:Thomas, S.E, Whitehouse, A.J, Coyne, A.G, Abell, C, Mendes, V, Blundell, T.L.
Deposit date:2019-02-12
Release date:2020-03-04
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Nucleic Acids Res., 48, 2020

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PDB entries from 2024-06-12

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