4UOE
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![BU of 4uoe by Molmil](/molmil-images/mine/4uoe) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L. | Deposit date: | 2014-06-03 | Release date: | 2014-10-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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7BF1
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![BU of 7bf1 by Molmil](/molmil-images/mine/7bf1) | Ca2+-Calmodulin in complex with peptide from brain-type creatine kinase in extended 1:2 binding mode | Descriptor: | ACETYL GROUP, CALCIUM ION, Calmodulin-1, ... | Authors: | Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S. | Deposit date: | 2020-12-31 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Calmodulin complexes with brain and muscle creatine kinase peptides. Curr Res Struct Biol, 3, 2021
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7BF2
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![BU of 7bf2 by Molmil](/molmil-images/mine/7bf2) | Ca2+-Calmodulin in complex with human muscle form creatine kinase peptide in extended 1:2 binding mode | Descriptor: | CALCIUM ION, Calmodulin-1, Creatine kinase M-type | Authors: | Sprenger, J, Akerfeldt, K.S, Bredfelt, J, Patel, N, Rowlett, R, Trifan, A, Vanderbeck, A, Lo Leggio, L, Snogerup Linse, S. | Deposit date: | 2020-12-31 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Calmodulin complexes with brain and muscle creatine kinase peptides. Curr Res Struct Biol, 3, 2021
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6HY1
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![BU of 6hy1 by Molmil](/molmil-images/mine/6hy1) | Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | Authors: | Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I. | Deposit date: | 2018-10-19 | Release date: | 2019-10-30 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N,N'-Bis(3-aminopropyl)-1,4-cyclohexanediamine after catalysis in crystal To Be Published
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6I1N
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![BU of 6i1n by Molmil](/molmil-images/mine/6i1n) | Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, GLYCEROL, Spermidine synthase, ... | Authors: | Sprenger, J, Coertzen, D, Persson, L, Carey, J, Birkholtz, L.M, Louw, B.I. | Deposit date: | 2018-10-29 | Release date: | 2019-11-20 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.85000134 Å) | Cite: | Plasmodium falciparum spermidine synthase in complex with N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine To Be Published
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6ST6
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![BU of 6st6 by Molmil](/molmil-images/mine/6st6) | Crystal Structure of Domain Swapped Trp Repressor V58I Variant | Descriptor: | ISOPROPYL ALCOHOL, Trp operon repressor | Authors: | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | Deposit date: | 2019-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan. Acta Crystallogr.,Sect.F, 77, 2021
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6ST7
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![BU of 6st7 by Molmil](/molmil-images/mine/6st7) | Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp | Descriptor: | ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor | Authors: | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | Deposit date: | 2019-09-10 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan. Acta Crystallogr.,Sect.F, 77, 2021
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7OS9
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![BU of 7os9 by Molmil](/molmil-images/mine/7os9) | Crystal Structure of Domain Swapped Trp Repressor V58I Variant with purification tag | Descriptor: | IMIDAZOLE, Trp operon repressor | Authors: | Sprenger, J, Lawson, C.L, Lo Leggio, L, Von Wachenfeldt, C, Carey, J. | Deposit date: | 2021-06-08 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan. Acta Crystallogr.,Sect.F, 77, 2021
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4BP3
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![BU of 4bp3 by Molmil](/molmil-images/mine/4bp3) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with DECARBOXYLATED S-ADENOSYLMETHIONINE5' AND 4- METHYLANILINE | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-METHYLANILINE, 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, ... | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2013-05-23 | Release date: | 2014-06-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design Acta Crystallogr.,Sect.D, 71, 2015
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4BP1
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![BU of 4bp1 by Molmil](/molmil-images/mine/4bp1) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Methylthioadenosine and Putrescine | Descriptor: | 1,4-DIAMINOBUTANE, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2013-05-23 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design Acta Crystallogr.,Sect.D, 71, 2015
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4CXM
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![BU of 4cxm by Molmil](/molmil-images/mine/4cxm) | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with METHYLTHIOADENOSIN AND SPERMIDINE after catalysis in crystal | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, SPERMIDINE, SPERMIDINE SYNTHASE | Authors: | Sprenger, J, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2014-04-07 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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4CWA
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![BU of 4cwa by Molmil](/molmil-images/mine/4cwa) | Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 1H-Benzimidazole-2-pentanamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5-(1H-benzimidazol-2-yl)pentan-1-amine, SPERMIDINE SYNTHASE | Authors: | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Persson, L. | Deposit date: | 2014-04-01 | Release date: | 2014-10-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design. Acta Crystallogr.,Sect.D, 71, 2015
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7NFV
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![BU of 7nfv by Molmil](/molmil-images/mine/7nfv) | Structure of SARS-CoV-2 Papain-like protease PLpro | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Gunther, S, Reinke, P, Werner, N, Falke, S, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Sprenger, J, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Koua, F, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Ewert, W, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Ehrt, C, Rarey, M, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Hinrichs, W, Meents, A, Betzel, C. | Deposit date: | 2021-02-07 | Release date: | 2021-02-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFU
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![BU of 7ofu by Molmil](/molmil-images/mine/7ofu) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 3, 4-Dihydroxybenzoic acid, methyl ester | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Srinivasan, V, Ewert, W, Werner, N, Falke, S, Guenther, S, Reinke, P, Sprenger, J, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Wolf, M, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFS
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![BU of 7ofs by Molmil](/molmil-images/mine/7ofs) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with 4-(2-hydroxyethyl)phenol | Descriptor: | 4-(2-hydroxyethyl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Ewert, W, Sprenger, J, Koua, F, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Lieske, J, Ginn, H, Lane, T.J, Yefanov, O, Gelisio, L, Hakanpaeae, J, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Wolf, M, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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7OFT
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![BU of 7oft by Molmil](/molmil-images/mine/7oft) | Structure of SARS-CoV-2 Papain-like protease PLpro in complex with p-hydroxybenzaldehyde | Descriptor: | CHLORIDE ION, P-HYDROXYBENZALDEHYDE, POTASSIUM ION, ... | Authors: | Srinivasan, V, Werner, N, Falke, S, Guenther, S, Reinke, P, Brognaro, H, Ullah, N, Andaleeb, H, Perbandt, M, Alves Franca, B, Schwinzer, M, Wang, M, Ewert, W, Sprenger, J, Lieske, J, Koua, F, Ginn, H, Lane, T.J, Wolf, M, Yefanov, O, Gelisio, L, Saouane, S, Tolstikova, A, Groessler, M, Fleckenstein, H, Trost, F, Lorenzen, K, Schubert, R, Han, H, Schmidt, C, Brings, L, Galchenkova, M, Gevorkov, Y, Li, C, Perk, A, Awel, S, Wahab, A, Choudary, I, Turk, D, Hinrichs, W, Chapman, H.N, Meents, A, Betzel, C. | Deposit date: | 2021-05-05 | Release date: | 2021-05-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease. Commun Biol, 5, 2022
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8S8W
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![BU of 8s8w by Molmil](/molmil-images/mine/8s8w) | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA-RNA (Cap0-RNA) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | Deposit date: | 2024-03-07 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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8S8X
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![BU of 8s8x by Molmil](/molmil-images/mine/8s8x) | SARS-CoV-2 nsp10-16 methyltransferase in complex with Toyocamycin and m7GpppA-RNA (Cap0-RNA) | Descriptor: | 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | Deposit date: | 2024-03-07 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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2XOD
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![BU of 2xod by Molmil](/molmil-images/mine/2xod) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the oxidised form | Descriptor: | CACODYLATE ION, FLAVIN MONONUCLEOTIDE, NRDI PROTEIN, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.96 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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2XOE
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![BU of 2xoe by Molmil](/molmil-images/mine/2xoe) | Crystal structure of flavoprotein NrdI from Bacillus anthracis in the semiquinone form | Descriptor: | ACETATE ION, CACODYLATE ION, FLAVIN MONONUCLEOTIDE, ... | Authors: | Johansson, R, Sprenger, J, Torrents, E, Sahlin, M, Sjoberg, B.M, Logan, D.T. | Deposit date: | 2010-08-14 | Release date: | 2010-08-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | High Resolution Crystal Structures of Nrdi in the Oxidised and Reduced States: An Unusual Flavodoxin FEBS J., 277, 2010
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3RIE
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![BU of 3rie by Molmil](/molmil-images/mine/3rie) | The structure of Plasmodium falciparum spermidine synthase in complex with 5'-methylthioadenosine and N-(3-aminopropyl)-trans-cyclohexane-1,4-diamine | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, ... | Authors: | Williams, M, Sprenger, J, Persson, L, Louw, A.I, Birkholtz, L, Al-Karadaghi, S. | Deposit date: | 2011-04-13 | Release date: | 2012-04-25 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel inhibitor of Plasmodium falciparum spermidine synthase: a twist in the tail. Malar J, 14, 2015
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9EMJ
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![BU of 9emj by Molmil](/molmil-images/mine/9emj) | SARS-CoV-2 methyltransferase nsp10-16 in complex with Toyocamycin and m7GpppA (Cap0-analog) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | Deposit date: | 2024-03-08 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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9EML
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![BU of 9eml by Molmil](/molmil-images/mine/9eml) | SARS-CoV-2 methyltransferase nsp10-16 in complex with SAM and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Kiene, A. | Deposit date: | 2024-03-08 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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9EMV
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![BU of 9emv by Molmil](/molmil-images/mine/9emv) | SARS-CoV-2 nsp10-16 methyltransferase in complex with Sangivamycin and m7GpppA (Cap0-analog)/m7GpppAm (Cap1-analog) | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | Deposit date: | 2024-03-11 | Release date: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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9EUN
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![BU of 9eun by Molmil](/molmil-images/mine/9eun) | SARS-CoV-2 nsp10-16 methyltransferase in complex with SAM and m7GTP | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase nsp16, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Kremling, V, Sprenger, J, Oberthuer, D, Scheer, T.E.S. | Deposit date: | 2024-03-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | SARS-CoV-2 methyltransferase nsp10-16 in complex with natural and drug-like purine analogs for guiding structure-based drug development To Be Published
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