7E47
 
 | | Crystal structure of compound 6 bound to MIF | | Descriptor: | (2S,3R,4R,5R,6R)-2-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-2-[[(2R,4R)-2-(4-hydroxyphenyl)-4,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol, CHLORIDE ION, Macrophage migration inhibitory factor | | Authors: | Fan, C.P, Yang, L, Guo, D.Y. | | Deposit date: | 2021-02-10 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
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7E45
 | | Crystal structure of compound 7 bound to MIF | | Descriptor: | (2R)-7-[(2R,3R,4R,5S,6S)-6-(hydroxymethyl)-3-[(2R,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(4-methoxy-3-oxidanyl-phenyl)-5-oxidanyl-2,3-dihydrochromen-4-one, CHLORIDE ION, Macrophage migration inhibitory factor | | Authors: | Fan, C.P, Yang, L. | | Deposit date: | 2021-02-10 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.433 Å) | | Cite: | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
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7E4A
 | | Crystal structure of MIF bound to compound 13 | | Descriptor: | CHLORIDE ION, Flavoxate, Macrophage migration inhibitory factor, ... | | Authors: | Fa, C.P, Guo, D.Y, Yang, L. | | Deposit date: | 2021-02-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.475 Å) | | Cite: | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
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7E4C
 | | Crystal structure of MIF bound to compound11 | | Descriptor: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CHLORIDE ION, Macrophage migration inhibitory factor, ... | | Authors: | Fan, C.P, Guo, D.Y, Yang, L. | | Deposit date: | 2021-02-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.644 Å) | | Cite: | Identification and Structure-Activity Relationships of Dietary Flavonoids as Human Macrophage Migration Inhibitory Factor (MIF) Inhibitors.
J.Agric.Food Chem., 69, 2021
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6T8W
 | | Complement factor B in complex with (-)-4-(1-((5,7-Dimethyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic acid | | Descriptor: | 5,7-dimethyl-4-[[(2~{S})-2-phenylpiperidin-1-yl]methyl]-1~{H}-indole, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Sweeney, A.M, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Wu, M.S, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, Erkenez, A.D, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6T8U
 | | Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine | | Descriptor: | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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6T8V
 | | Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole | | Descriptor: | 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ... | | Authors: | Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M. | | Deposit date: | 2019-10-25 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
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5XF1
 | | Structure of the Full-length glucagon class B G protein-coupled receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
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6NEF
 | | Outer Membrane Cytochrome S Filament from Geobacter Sulfurreducens | | Descriptor: | C-type cytochrome OmcS, HEME C, MAGNESIUM ION | | Authors: | Filman, D.J, Marino, S.F, Ward, J.E, Yang, L, Mester, Z, Bullitt, E, Lovley, D.R, Strauss, M. | | Deposit date: | 2018-12-17 | | Release date: | 2019-07-03 | | Last modified: | 2019-09-11 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Cryo-EM reveals the structural basis of long-range electron transport in a cytochrome-based bacterial nanowire.
Commun Biol, 2, 2019
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5XEZ
 | | Structure of the Full-length glucagon class B G protein-coupled receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ... | | Authors: | Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B. | | Deposit date: | 2017-04-06 | | Release date: | 2017-05-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
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5YQZ
 | | Structure of the glucagon receptor in complex with a glucagon analogue | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucagon analogue, ... | | Authors: | Zhang, H, Qiao, A, Yang, L, VAN EPS, N, Frederiksen, K, Yang, D, Dai, A, Cai, X, Zhang, H, Yi, C, Can, C, He, L, Yang, H, Lau, J, Ernst, O, Hanson, M, Stevens, R, Wang, M, Seedtz-Runge, S, Jiang, H, Zhao, Q, Wu, B. | | Deposit date: | 2017-11-08 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the glucagon receptor in complex with a glucagon analogue.
Nature, 553, 2018
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4XYX
 | | NanB plus Optactamide | | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | | Deposit date: | 2015-02-03 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB
To Be Published
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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4IAQ
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target) | | Descriptor: | Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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3P65
 | | Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | | Descriptor: | CHLORIDE ION, GOLD 3+ ION, GOLD ION, ... | | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | | Deposit date: | 2010-10-11 | | Release date: | 2011-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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3P68
 | | Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | | Descriptor: | GOLD 3+ ION, Lysozyme C | | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | | Deposit date: | 2010-10-11 | | Release date: | 2011-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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3P66
 | | Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | | Descriptor: | GOLD 3+ ION, Lysozyme C | | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | | Deposit date: | 2010-10-11 | | Release date: | 2011-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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3P4Z
 | | Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | | Descriptor: | CHLORIDE ION, GOLD 3+ ION, GOLD ION, ... | | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | | Deposit date: | 2010-10-07 | | Release date: | 2011-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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3P64
 | | Time-dependent and Protein-directed In Situ Growth of Gold Nanoparticles in a Single Crystal of Lysozyme | | Descriptor: | CHLORIDE ION, GOLD 3+ ION, GOLD ION, ... | | Authors: | Wei, H, Wang, Z, Zhang, J, House, S, Gao, Y.-G, Yang, L, Robinson, H, Tan, L.H, Xing, H, Hou, C, Robertson, I.M, Zuo, J.-M, Lu, Y. | | Deposit date: | 2010-10-11 | | Release date: | 2011-02-09 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Time-dependent, protein-directed growth of gold nanoparticles within a single crystal of lysozyme.
Nat Nanotechnol, 6, 2011
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4JZR
 | | Structure of Prolyl Hydroxylase Domain-containing Protein (PHD) with Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 2-(biphenyl-4-yl)-8-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one, Egl nine homolog 1, ... | | Authors: | Ma, Y, Yang, L. | | Deposit date: | 2013-04-03 | | Release date: | 2013-10-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors
Bioorg.Med.Chem., 21, 2013
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5YN8
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAH | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION, nsp10 protein, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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5YNJ
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to m7GpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, ZINC ION, nsp10 protein, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.043 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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5YN6
 | | Crystal structure of MERS-CoV nsp10/nsp16 complex bound to SAM | | Descriptor: | S-ADENOSYLMETHIONINE, ZINC ION, nsp10 protein, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.947 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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5YNN
 | | Crystal structure of MERS-CoV nsp16/nsp10complex bound to sinefungin and m7GpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, SINEFUNGIN, ZINC ION, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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5YNI
 | | Crystal structure of MERS-CoV nsp16/nsp10 complex bound to SAM and m7GpppG | | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, S-ADENOSYLMETHIONINE, ZINC ION, ... | | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Chen, Y, Guo, D.Y, Fan, C.P. | | Deposit date: | 2017-10-24 | | Release date: | 2018-12-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex
To Be Published
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