5V9J
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![BU of 5v9j by Molmil](/molmil-images/mine/5v9j) | Crystal structure of catalytic domain of GLP with MS0105 | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase EHMT1, ... | 著者 | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | 登録日 | 2017-03-23 | 公開日 | 2018-03-21 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Crystal structure of catalytic domain of GLP with MS0105 to be published
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7OCB
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![BU of 7ocb by Molmil](/molmil-images/mine/7ocb) | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ... | 著者 | Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U. | 登録日 | 2021-04-26 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | 主引用文献 | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B To Be Published
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1C8J
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![BU of 1c8j by Molmil](/molmil-images/mine/1c8j) | CRYSTAL STRUCTURE OF CYTOCHROME P450CAM MUTANT (F87W/Y96F) | 分子名称: | CYTOCHROME P450-CAM, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Liu, Y, Jiang, F, Guo, Q, Chen, X, Jin, J, Sun, Y, Rao, Z. | 登録日 | 2000-05-31 | 公開日 | 2001-05-09 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Crystal Structure of Cytochrome P450cam mutant (F87W/Y96F) To be Published
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3K5K
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![BU of 3k5k by Molmil](/molmil-images/mine/3k5k) | Discovery of a 2,4-Diamino-7-aminoalkoxy-quinazoline as a Potent Inhibitor of Histone Lysine Methyltransferase, G9a | 分子名称: | 7-[3-(dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine, CHLORIDE ION, Histone-lysine N-methyltransferase, ... | 著者 | Dong, A, Wasney, G.A, Liu, F, Chen, X, Allali-Hassani, A, Senisterra, G, Chau, I, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Frye, S.V, Bochkarev, A, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2009-10-07 | 公開日 | 2009-11-10 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. J.Med.Chem., 52, 2009
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5ANY
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![BU of 5any by Molmil](/molmil-images/mine/5any) | Electron cryo-microscopy of chikungunya virus in complex with neutralizing antibody Fab CHK265 | 分子名称: | E1, E2, FAB, ... | 著者 | Fox, J.M, Long, F, Edeling, M.A, Lin, H, Duijl-Richter, M, Fong, R.H, Kahle, K.M, Smit, J.M, Jin, J, Simmons, G, Doranz, B.J, Crowe, J.E, Fremont, D.H, Rossmann, M.G, Diamond, M.S. | 登録日 | 2015-09-08 | 公開日 | 2015-11-25 | 最終更新日 | 2018-10-03 | 実験手法 | ELECTRON MICROSCOPY (16.9 Å) | 主引用文献 | Broadly Neutralizing Alphavirus Antibodies Bind an Epitope on E2 and Inhibit Entry and Egress. Cell(Cambridge,Mass.), 163, 2015
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4P0E
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![BU of 4p0e by Molmil](/molmil-images/mine/4p0e) | |
4P0U
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3RJW
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![BU of 3rjw by Molmil](/molmil-images/mine/3rjw) | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | 分子名称: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | 著者 | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2011-04-15 | 公開日 | 2011-05-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | 主引用文献 | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells. Nat.Chem.Biol., 7, 2011
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4HSG
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![BU of 4hsg by Molmil](/molmil-images/mine/4hsg) | Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | 分子名称: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | 著者 | Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | 登録日 | 2012-10-30 | 公開日 | 2012-12-05 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors. J. Med. Chem., 56, 2013
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5E8R
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![BU of 5e8r by Molmil](/molmil-images/mine/5e8r) | Human HMT1 hnRNP methyltransferase-like protein 6 (S. cerevisiae) | 分子名称: | CHLORIDE ION, N-methyl-N-({4-[4-(propan-2-yloxy)phenyl]-1H-pyrrol-3-yl}methyl)ethane-1,2-diamine, Protein arginine N-methyltransferase 6, ... | 著者 | DONG, A, ZENG, H, LIU, J, TEMPEL, W, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, JIN, J, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) | 登録日 | 2015-10-14 | 公開日 | 2015-12-09 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | A Potent, Selective, and Cell-Active Inhibitor of Human Type I Protein Arginine Methyltransferases. Acs Chem.Biol., 11, 2016
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5VSC
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![BU of 5vsc by Molmil](/molmil-images/mine/5vsc) | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13 | 分子名称: | 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ... | 著者 | Babault, N, Xiong, Y, Liu, J, Jin, J. | 登録日 | 2017-05-11 | 公開日 | 2017-07-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors. Bioorg. Med. Chem., 25, 2017
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5VSF
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![BU of 5vsf by Molmil](/molmil-images/mine/5vsf) | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ... | 著者 | Babault, N, Xiong, Y, Liu, J, Jin, J. | 登録日 | 2017-05-11 | 公開日 | 2017-07-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors. Bioorg. Med. Chem., 25, 2017
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5VSE
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![BU of 5vse by Molmil](/molmil-images/mine/5vse) | Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine | 分子名称: | Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ... | 著者 | Babault, N, Xiong, Y, Liu, J, Jin, J. | 登録日 | 2017-05-11 | 公開日 | 2017-07-19 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors. Bioorg. Med. Chem., 25, 2017
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5VSD
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![BU of 5vsd by Molmil](/molmil-images/mine/5vsd) | Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13 | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, GLYCEROL, ... | 著者 | Babault, N, Xiong, Y, Liu, J, Jin, J. | 登録日 | 2017-05-11 | 公開日 | 2017-07-12 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure-activity relationship studies of G9a-like protein (GLP) inhibitors. Bioorg. Med. Chem., 25, 2017
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4PZA
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![BU of 4pza by Molmil](/molmil-images/mine/4pza) | The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate | 分子名称: | Glucosyl-3-phosphoglycerate phosphatase, PHOSPHATE ION | 著者 | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | 登録日 | 2014-03-29 | 公開日 | 2014-06-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.776 Å) | 主引用文献 | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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4PZ9
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![BU of 4pz9 by Molmil](/molmil-images/mine/4pz9) | The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c | 分子名称: | Glucosyl-3-phosphoglycerate phosphatase | 著者 | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | 登録日 | 2014-03-28 | 公開日 | 2014-06-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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4QIH
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![BU of 4qih by Molmil](/molmil-images/mine/4qih) | The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3 | 分子名称: | Glucosyl-3-phosphoglycerate phosphatase, VANADATE ION | 著者 | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | 登録日 | 2014-05-30 | 公開日 | 2014-06-11 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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8FCG
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![BU of 8fcg by Molmil](/molmil-images/mine/8fcg) | Cryo-EM structure of Chikungunya virus asymmetric unit | 分子名称: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Capsid protein, E1 glycoprotein, ... | 著者 | Su, G.C, Chmielewsk, D, Kaelber, J, Pintilie, G, Chen, M, Jin, J, Auguste, A, Chiu, W. | 登録日 | 2022-12-01 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-03 | 実験手法 | ELECTRON MICROSCOPY (3.09 Å) | 主引用文献 | Cryogenic electron microscopy and tomography reveal imperfect icosahedral symmetry in alphaviruses. Pnas Nexus, 3, 2024
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7KIP
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![BU of 7kip by Molmil](/molmil-images/mine/7kip) | A 3.4 Angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | 著者 | Zhang, K, Li, S, Pintilie, G, Chmielewski, D, Schmid, M, Simmons, G, Jin, J, Chiu, W. | 登録日 | 2020-10-24 | 公開日 | 2020-11-11 | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | 主引用文献 | A 3.4- angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles. Biorxiv, 2020
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3PEQ
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![BU of 3peq by Molmil](/molmil-images/mine/3peq) | PPARd complexed with a phenoxyacetic acid partial agonist | 分子名称: | IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ... | 著者 | Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V. | 登録日 | 2010-10-27 | 公開日 | 2011-10-12 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy Bioorg.Med.Chem.Lett., 21, 2011
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5EMQ
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![BU of 5emq by Molmil](/molmil-images/mine/5emq) | Transcription factor GRDBD and GRE complex | 分子名称: | DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*CP*AP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*GP*AP*TP*GP*TP*TP*CP*TP*G)-3'), Glucocorticoid receptor, ... | 著者 | Lian, T, Jin, J, Su, X. | 登録日 | 2015-11-06 | 公開日 | 2016-06-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The effects of cytosine methylation on general transcription factors To Be Published
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5EMP
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![BU of 5emp by Molmil](/molmil-images/mine/5emp) | Transcription factor GRDBD and mmGRE complex | 分子名称: | DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*GP*AP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*CP*AP*GP*AP*AP*CP*AP*TP*(5CM)P*AP*TP*GP*TP*TP*CP*TP*G)-3'), Glucocorticoid receptor, ... | 著者 | Lian, T, Jin, J, Su, X. | 登録日 | 2015-11-06 | 公開日 | 2016-06-29 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The effects of cytosine methylation on general transcription factors To Be Published
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8FR7
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![BU of 8fr7 by Molmil](/molmil-images/mine/8fr7) | A hinge glycan regulates spike bending and impacts coronavirus infectivity | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W. | 登録日 | 2023-01-06 | 公開日 | 2023-10-04 | 実験手法 | ELECTRON MICROSCOPY (3.39 Å) | 主引用文献 | A hinge glycan regulates spike bending and impacts coronavirus infectivity To Be Published
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6BOZ
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![BU of 6boz by Molmil](/molmil-images/mine/6boz) | Structure of human SETD8 in complex with covalent inhibitor MS4138 | 分子名称: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | 著者 | Babault, N, Anqi, M, Jin, J. | 登録日 | 2017-11-21 | 公開日 | 2019-05-01 | 最終更新日 | 2019-12-04 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The dynamic conformational landscape of the protein methyltransferase SETD8. Elife, 8, 2019
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6KLD
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![BU of 6kld by Molmil](/molmil-images/mine/6kld) | Structure of apo Machupo virus polymerase | 分子名称: | MANGANESE (II) ION, RNA-directed RNA polymerase L, ZINC ION | 著者 | Peng, R, Xu, X, Jing, J, Peng, Q, Gao, G.F, Shi, Y. | 登録日 | 2019-07-30 | 公開日 | 2020-03-18 | 最終更新日 | 2021-12-08 | 実験手法 | ELECTRON MICROSCOPY (3.58 Å) | 主引用文献 | Structural insight into arenavirus replication machinery. Nature, 579, 2020
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