4P0D
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![BU of 4p0d by Molmil](/molmil-images/mine/4p0d) | The T6 backbone pilin of serotype M6 Streptococcus pyogenes has a modular three-domain structure decorated with variable loops and extensions | 分子名称: | CALCIUM ION, IODIDE ION, Trypsin-resistant surface T6 protein | 著者 | Young, P.G, Moreland, N.J, Loh, J.M, Bell, A, Atatoa-Carr, P, Proft, T, Baker, E.N. | 登録日 | 2014-02-20 | 公開日 | 2014-08-27 | 最終更新日 | 2024-06-05 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural Conservation, Variability, and Immunogenicity of the T6 Backbone Pilin of Serotype M6 Streptococcus pyogenes. Infect.Immun., 82, 2014
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6DSZ
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6QOC
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![BU of 6qoc by Molmil](/molmil-images/mine/6qoc) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 6 (2-(1,3-oxazol-5-yl) aniline) | 分子名称: | 2-(1,3-oxazol-5-yl)aniline, 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 (1.84 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6DUD
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![BU of 6dud by Molmil](/molmil-images/mine/6dud) | JAK3 with cyanamide CP12 | 分子名称: | N-[(1S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]imidoformamide, SULFATE ION, Tyrosine-protein kinase JAK3 | 著者 | Vajdos, F.F. | 登録日 | 2018-06-20 | 公開日 | 2018-11-28 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors. J. Med. Chem., 61, 2018
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6QOK
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![BU of 6qok by Molmil](/molmil-images/mine/6qok) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 14 (Methyl 2-aminopyridine-4-carboxylate) | 分子名称: | SULFATE ION, methyl 2-azanylpyridine-4-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 (1.48 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6DGS
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6QOS
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![BU of 6qos by Molmil](/molmil-images/mine/6qos) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 22 (Ethyl 1H-pyrazole-4-carboxylate) | 分子名称: | SULFATE ION, ethyl 1~{H}-pyrazole-4-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 (2.052 Å) | 主引用文献 | Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification. Nucleic Acids Res., 48, 2020
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6D47
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6QPE
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6QQQ
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![BU of 6qqq by Molmil](/molmil-images/mine/6qqq) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | 分子名称: | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate, 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 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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3UIQ
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![BU of 3uiq by Molmil](/molmil-images/mine/3uiq) | RB69 DNA Polymerase Ternary Complex containing dUpNpp | 分子名称: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3', 5'-D(*TP*CP*GP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3', ... | 著者 | Xia, S, Konigsberg, W.H, Wang, J. | 登録日 | 2011-11-05 | 公開日 | 2012-04-18 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.879 Å) | 主引用文献 | Bidentate and tridentate metal-ion coordination states within ternary complexes of RB69 DNA polymerase. Protein Sci., 21, 2012
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6QQU
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![BU of 6qqu by Molmil](/molmil-images/mine/6qqu) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 5-azanyl-3-(1~{H}-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 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QQY
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![BU of 6qqy by Molmil](/molmil-images/mine/6qqy) | 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
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5DRO
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![BU of 5dro by Molmil](/molmil-images/mine/5dro) | Structure of the Aquifex aeolicus LpxC/LPC-011 Complex | 分子名称: | 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | 著者 | Lee, C.-J, Najeeb, J, Zhou, P. | 登録日 | 2015-09-16 | 公開日 | 2016-03-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Drug design from the cryptic inhibitor envelope. Nat Commun, 7, 2016
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6QR2
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![BU of 6qr2 by Molmil](/molmil-images/mine/6qr2) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 5-azanyl-3-[1-[(2-oxidanylpyridin-3-yl)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 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6QR6
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![BU of 6qr6 by Molmil](/molmil-images/mine/6qr6) | 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
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6QRD
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![BU of 6qrd by Molmil](/molmil-images/mine/6qrd) | Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with inhibitor | 分子名称: | 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 | 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 | 2019-09-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Development of Inhibitors againstMycobacterium abscessustRNA (m1G37) Methyltransferase (TrmD) Using Fragment-Based Approaches. J.Med.Chem., 62, 2019
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6D7H
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![BU of 6d7h by Molmil](/molmil-images/mine/6d7h) | CTX-M-14 Apoenzyme | 分子名称: | Beta-lactamase, PHOSPHATE ION, POTASSIUM ION | 著者 | Kemp, M, Nichols, D, Chen, Y. | 登録日 | 2018-04-24 | 公開日 | 2019-07-24 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.801 Å) | 主引用文献 | The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase To be Published
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6QRN
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6DMJ
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![BU of 6dmj by Molmil](/molmil-images/mine/6dmj) | A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain | 分子名称: | 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole, Bromodomain-containing protein 4 | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | 登録日 | 2018-06-05 | 公開日 | 2018-12-19 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61, 2018
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2G6W
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2GF4
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![BU of 2gf4 by Molmil](/molmil-images/mine/2gf4) | Crystal structure of Vng1086c from Halobacterium salinarium (Halobacterium halobium). Northeast Structural Genomics Target HsR14 | 分子名称: | ACETATE ION, CALCIUM ION, Protein Vng1086c | 著者 | Benach, J, Zhou, W, Jayaraman, S, Forouhar, F.F, Janjua, H, Xiao, R, Ma, L.-C, Cunningham, K, Wang, D, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | 登録日 | 2006-03-21 | 公開日 | 2006-04-18 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Crystal structure of Vng1086c from Halobacterium salinarium (Halobacterium halobium). Northeast Structural Genomics Target HsR14 To be Published
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1MY3
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![BU of 1my3 by Molmil](/molmil-images/mine/1my3) | crystal structure of glutamate receptor ligand-binding core in complex with bromo-willardiine in the Zn crystal form | 分子名称: | 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION | 著者 | Jin, R, Gouaux, E. | 登録日 | 2002-10-03 | 公開日 | 2003-06-10 | 最終更新日 | 2017-08-23 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core:
Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal Biochemistry, 42, 2003
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1MY0
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7R8X
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