2K4U
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![BU of 2k4u by Molmil](/molmil-images/mine/2k4u) | Solution structure of the SCORPION TOXIN ADWX-1 | Descriptor: | Potassium channel toxin alpha-KTx 3.6 | Authors: | Yin, S.J, Jiang, L, Yi, H, Han, S, Yang, D.W, Liu, M.L, Liu, H, Cao, Z.J, Wu, Y.L, Li, W.X. | Deposit date: | 2008-06-18 | Release date: | 2008-12-09 | Last modified: | 2021-11-10 | Method: | SOLUTION NMR | Cite: | Different Residues in Channel Turret Determining the Selectivity of ADWX-1 Inhibitor Peptide between Kv1.1 and Kv1.3 Channels J.Proteome Res., 7, 2008
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7XK8
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![BU of 7xk8 by Molmil](/molmil-images/mine/7xk8) | Cryo-EM structure of the Neuromedin U receptor 2 (NMUR2) in complex with G Protein and its endogeneous Peptide-Agonist NMU25 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhao, W, Wenru, Z, Mu, W, Minmin, L, Shutian, C, Tingting, T, Gisela, S, Holger, W, Albert, B, Cuiying, Y, Xiaojing, C, Han, S, Wu, B, Zhao, Q. | Deposit date: | 2022-04-19 | Release date: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand recognition and activation of neuromedin U receptor 2. Nat Commun, 13, 2022
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7X4B
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![BU of 7x4b by Molmil](/molmil-images/mine/7x4b) | Crystal Structure of An Anti-CRISPR Protein | Descriptor: | Anti-CRISPR protein (AcrIIC1), SULFATE ION | Authors: | Hu, J, Zhang, S, Gao, J.Y, Liu, X, Liu, J. | Deposit date: | 2022-03-02 | Release date: | 2022-10-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | A redox switch regulates the assembly and anti-CRISPR activity of AcrIIC1. Nat Commun, 13, 2022
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4HCT
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![BU of 4hct by Molmil](/molmil-images/mine/4hct) | Crystal structure of ITK in complex with compound 52 | Descriptor: | 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide, Tyrosine-protein kinase ITK/TSK | Authors: | Zapf, C.W, Gerstenberger, B.S, Xing, L, Limburg, D.C, Anderson, D.R, Caspers, N, Han, S, Aulabaugh, A, Kurumbail, R, Shakya, S, Li, X, Spaulding, V, Czerwinski, R.M, Seth, N, Medley, Q.G. | Deposit date: | 2012-10-01 | Release date: | 2012-11-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. J.Med.Chem., 55, 2012
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1WWJ
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![BU of 1wwj by Molmil](/molmil-images/mine/1wwj) | crystal structure of KaiB from Synechocystis sp. | Descriptor: | Circadian clock protein kaiB, D-MALATE, IMIDAZOLE, ... | Authors: | Hitomi, K, Oyama, T, Han, S, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | Deposit date: | 2005-01-06 | Release date: | 2005-02-15 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrameric architecture of the circadian clock protein KaiB. A novel interface for intermolecular interactions and its impact on the circadian rhythm. J.Biol.Chem., 280, 2005
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7C7Q
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![BU of 7c7q by Molmil](/molmil-images/mine/7c7q) | Cryo-EM structure of the baclofen/BHFF-bound human GABA(B) receptor in active state | Descriptor: | (3S)-5,7-ditert-butyl-3-oxidanyl-3-(trifluoromethyl)-1-benzofuran-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | Deposit date: | 2020-05-26 | Release date: | 2020-07-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Cryo-EM structures of inactive and active GABABreceptor. Cell Res., 30, 2020
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7C2S
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![BU of 7c2s by Molmil](/molmil-images/mine/7c2s) | Helical reconstruction of Dengue virus serotype 3 complexed with Fab C10 | Descriptor: | Heavy chain of Fab C10, envelope protein, light chain of Fab C10 | Authors: | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | Deposit date: | 2020-05-09 | Release date: | 2020-07-08 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (10.4 Å) | Cite: | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant. Nat Commun, 11, 2020
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7C2T
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![BU of 7c2t by Molmil](/molmil-images/mine/7c2t) | Helical reconstruction of Zika virus complexed with Fab C10 | Descriptor: | Heavy chain from Fab C10, Light chain from Fab C10, M protein, ... | Authors: | Morrone, S, Chew, S.V, Lim, X.N, Ng, T.S, Kostyuchenko, V.A, Zhang, S, Lok, S.M. | Deposit date: | 2020-05-09 | Release date: | 2020-07-08 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (9.4 Å) | Cite: | High flavivirus structural plasticity demonstrated by a non-spherical morphological variant. Nat Commun, 11, 2020
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7C7S
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![BU of 7c7s by Molmil](/molmil-images/mine/7c7s) | Cryo-EM structure of the CGP54626-bound human GABA(B) receptor in inactive state. | Descriptor: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid type B receptor subunit 1, ... | Authors: | Mao, C, Shen, C, Li, C, Shen, D, Xu, C, Zhang, S, Zhou, R, Shen, Q, Chen, L, Jiang, Z, Liu, J, Zhang, Y. | Deposit date: | 2020-05-26 | Release date: | 2020-07-01 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-EM structures of inactive and active GABABreceptor. Cell Res., 30, 2020
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6LK0
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![BU of 6lk0 by Molmil](/molmil-images/mine/6lk0) | Crystal structure of human wild type TRIP13 | Descriptor: | Pachytene checkpoint protein 2 homolog | Authors: | Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J. | Deposit date: | 2019-12-17 | Release date: | 2020-01-22 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression. Cancer Res., 80, 2020
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1YC1
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![BU of 1yc1 by Molmil](/molmil-images/mine/1yc1) | Crystal Structures of human HSP90alpha complexed with dihydroxyphenylpyrazoles | Descriptor: | 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | Deposit date: | 2004-12-21 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles. Bioorg.Med.Chem.Lett., 15, 2005
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1YC4
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![BU of 1yc4 by Molmil](/molmil-images/mine/1yc4) | Crystal structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | Descriptor: | 4-(1H-IMIDAZOL-4-YL)-3-(5-ETHYL-2,4-DIHYDROXY-PHENYL)-1H-PYRAZOLE, Heat shock protein HSP 90-alpha | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | Deposit date: | 2004-12-21 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles. Bioorg.Med.Chem.Lett., 15, 2005
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1YC3
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![BU of 1yc3 by Molmil](/molmil-images/mine/1yc3) | Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles | Descriptor: | 4-(1,3-BENZODIOXOL-5-YL)-5-(5-ETHYL-2,4-DIHYDROXYPHENYL)-2H-PYRAZOLE-3-CARBOXYLIC ACID, Heat shock protein HSP 90-alpha | Authors: | Kreusch, A, Han, S, Brinker, A, Zhou, V, Choi, H, He, Y, Lesley, S.A, Caldwell, J, Gu, X. | Deposit date: | 2004-12-21 | Release date: | 2005-02-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles. Bioorg.Med.Chem.Lett., 15, 2005
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1ZZL
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![BU of 1zzl by Molmil](/molmil-images/mine/1zzl) | Crystal structure of P38 with triazolopyridine | Descriptor: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | McClure, K.F, Han, S. | Deposit date: | 2005-06-14 | Release date: | 2005-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase. J.Med.Chem., 48, 2005
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1ZPG
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![BU of 1zpg by Molmil](/molmil-images/mine/1zpg) | Arginase I covalently modified with propylamine at Q19C | Descriptor: | Arginase 1, MANGANESE (II) ION | Authors: | Colleluori, D.M, Reczkowski, R.S, Emig, F.A, Cama, E, Cox, J.D, Scolnick, L.R, Compher, K, Jude, K, Han, S, Viola, R.E, Christianson, D.W, Ash, D.E. | Deposit date: | 2005-05-16 | Release date: | 2005-12-06 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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1ZPE
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![BU of 1zpe by Molmil](/molmil-images/mine/1zpe) | Arginase I covalently modified with butylamine at Q19C | Descriptor: | Arginase 1, MANGANESE (II) ION | Authors: | Colleluori, D.M, Reczkowski, R.S, Emig, F.A, Cama, E, Cox, J.D, Scolnick, L.R, Compher, K, Jude, K, Han, S, Viola, R.E, Christianson, D.W, Ash, D.E. | Deposit date: | 2005-05-16 | Release date: | 2005-12-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Probing the role of the hyper-reactive histidine residue of arginase. Arch.Biochem.Biophys., 444, 2005
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7KDP
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![BU of 7kdp by Molmil](/molmil-images/mine/7kdp) | HCMV prefusion gB in complex with fusion inhibitor WAY-174865 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ... | Authors: | Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X. | Deposit date: | 2020-10-09 | Release date: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion. Sci Adv, 7, 2021
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7KDD
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![BU of 7kdd by Molmil](/molmil-images/mine/7kdd) | HCMV postfusion gB in complex with SM5-1 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ... | Authors: | Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X. | Deposit date: | 2020-10-08 | Release date: | 2021-03-17 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion. Sci Adv, 7, 2021
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7E9G
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![BU of 7e9g by Molmil](/molmil-images/mine/7e9g) | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu2 | Descriptor: | (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one, DN13, ... | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2021-03-04 | Release date: | 2021-06-23 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature, 594, 2021
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7E9H
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![BU of 7e9h by Molmil](/molmil-images/mine/7e9h) | Cryo-EM structure of Gi-bound metabotropic glutamate receptor mGlu4 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-3, ... | Authors: | Lin, S, Han, S, Zhao, Q, Wu, B. | Deposit date: | 2021-03-04 | Release date: | 2021-06-23 | Last modified: | 2021-07-07 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Structures of G i -bound metabotropic glutamate receptors mGlu2 and mGlu4. Nature, 594, 2021
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7CKR
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![BU of 7ckr by Molmil](/molmil-images/mine/7ckr) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate BAY-8002 in the outward-open conformation. | Descriptor: | 2-[[2-chloranyl-5-(phenylsulfonyl)phenyl]carbonylamino]benzoic acid, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-07-18 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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7CKO
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![BU of 7cko by Molmil](/molmil-images/mine/7cko) | Cryo-EM structure of the human MCT1/Basigin-2 complex in the presence of anti-cancer drug candidate 7ACC2 in the inward-open conformation | Descriptor: | 7-[methyl-(phenylmethyl)amino]-2-oxidanylidene-chromene-3-carboxylic acid, Basigin, Monocarboxylate transporter 1 | Authors: | Wang, N, Jiang, X, Zhang, S, Zhu, A, Yuan, Y, Lei, J, Yan, C. | Deposit date: | 2020-07-18 | Release date: | 2020-12-23 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | Structural basis of human monocarboxylate transporter 1 inhibition by anti-cancer drug candidates. Cell, 184, 2021
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8P1U
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![BU of 8p1u by Molmil](/molmil-images/mine/8p1u) | Structure of divisome complex FtsWIQLB | Descriptor: | Cell division protein FtsB, Cell division protein FtsL, Cell division protein FtsQ, ... | Authors: | Yang, L, Chang, S, Tang, D, Dong, H. | Deposit date: | 2023-05-12 | Release date: | 2024-05-22 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insights into the activation of the divisome complex FtsWIQLB. Cell Discov, 10, 2024
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7BV2
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![BU of 7bv2 by Molmil](/molmil-images/mine/7bv2) | The nsp12-nsp7-nsp8 complex bound to the template-primer RNA and triphosphate form of Remdesivir(RTP) | Descriptor: | MAGNESIUM ION, Non-structural protein 7, Non-structural protein 8, ... | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | Deposit date: | 2020-04-09 | Release date: | 2020-04-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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7BV1
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![BU of 7bv1 by Molmil](/molmil-images/mine/7bv1) | Cryo-EM structure of the apo nsp12-nsp7-nsp8 complex | Descriptor: | Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ... | Authors: | Yin, W, Mao, C, Luan, X, Shen, D, Shen, Q, Su, H, Wang, X, Zhou, F, Zhao, W, Gao, M, Chang, S, Xie, Y.C, Tian, G, Jiang, H.W, Tao, S.C, Shen, J, Jiang, Y, Jiang, H, Xu, Y, Zhang, S, Zhang, Y, Xu, H.E. | Deposit date: | 2020-04-09 | Release date: | 2020-04-22 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for inhibition of the RNA-dependent RNA polymerase from SARS-CoV-2 by remdesivir. Science, 368, 2020
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