7MYO
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![BU of 7myo by Molmil](/molmil-images/mine/7myo) | Cryo-EM structure of p110alpha in complex with p85alpha inhibited by BYL-719 | Descriptor: | (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Liu, X, Yang, S, Hart, J.R, Xu, Y, Zou, X, Zhang, H, Zhou, Q, Xia, T, Zhang, Y, Yang, D, Wang, M.-W, Vogt, P.K. | Deposit date: | 2021-05-21 | Release date: | 2021-11-10 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.92 Å) | Cite: | Cryo-EM structures of PI3K alpha reveal conformational changes during inhibition and activation. Proc.Natl.Acad.Sci.USA, 118, 2021
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3EPO
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![BU of 3epo by Molmil](/molmil-images/mine/3epo) | Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | Deposit date: | 2008-09-29 | Release date: | 2008-10-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily Nat.Chem.Biol., 4, 2008
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6IVO
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![BU of 6ivo by Molmil](/molmil-images/mine/6ivo) | Crystal structure of a membrane protein P208A | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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6IVQ
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![BU of 6ivq by Molmil](/molmil-images/mine/6ivq) | Crystal structure of a membrane protein S19A | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | Authors: | Kittredge, A, Fukuda, F, Zhang, Y, Yang, T. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Dual Ca2+-dependent gates in human Bestrophin1 underlie disease-causing mechanisms of gain-of-function mutations. Commun Biol, 2, 2019
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6V4X
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![BU of 6v4x by Molmil](/molmil-images/mine/6v4x) | Cryo-EM structure of an active human histone pre-mRNA 3'-end processing machinery at 3.2 Angstrom resolution | Descriptor: | Cleavage and polyadenylation specificity factor subunit 2, Cleavage and polyadenylation specificity factor subunit 3, Small nuclear ribonucleoprotein E, ... | Authors: | Sun, Y, Zhang, Y, Walz, T, Tong, L. | Deposit date: | 2019-12-02 | Release date: | 2020-02-19 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of an active human histone pre-mRNA 3'-end processing machinery. Science, 367, 2020
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5X59
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![BU of 5x59 by Molmil](/molmil-images/mine/5x59) | Prefusion structure of MERS-CoV spike glycoprotein, three-fold symmetry | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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6ISM
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![BU of 6ism by Molmil](/molmil-images/mine/6ism) | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | Descriptor: | Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-11-16 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6J0K
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![BU of 6j0k by Molmil](/molmil-images/mine/6j0k) | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3 | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-12-24 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6J0G
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![BU of 6j0g by Molmil](/molmil-images/mine/6j0g) | Crystal structure of intracellular B30.2 domain of BTN3A3 mutant in complex with HMBPP | Descriptor: | (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A3 | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-12-24 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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6J06
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![BU of 6j06 by Molmil](/molmil-images/mine/6j06) | Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP-08 | Descriptor: | (2E)-3-(hydroxymethyl)-4-(4-methylphenyl)but-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1, CALCIUM ION, ... | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-12-21 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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5HMB
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![BU of 5hmb by Molmil](/molmil-images/mine/5hmb) | Crystal structure of S. sahachiroi AziG | Descriptor: | Azi13, SULFATE ION | Authors: | Erb, M.S, Zhang, Y, Ealick, S.E. | Deposit date: | 2016-01-15 | Release date: | 2016-02-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.151 Å) | Cite: | Polyketide Ring Expansion Mediated by a Thioesterase, Chain Elongation and Cyclization Domain, in Azinomycin Biosynthesis: Characterization of AziB and AziG. Biochemistry, 55, 2016
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8QSO
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![BU of 8qso by Molmil](/molmil-images/mine/8qso) | Crystal structure of human Mcl-1 in complex with compound 1 | Descriptor: | (13S,16R,19S)-16-benzyl-43-ethoxy-N-methyl-7,11,14,17-tetraoxo-13-phenyl-5-oxa-2,8,12,15,18-pentaaza-1(1,4),4(1,2)-dibenzena-9(1,4)-cyclohexanacycloicosaphane-19-carboxamide, Maltose/maltodextrin-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Hekking, K.F.W, Gremmen, S, Maroto, S, Keefe, A.D, Zhang, Y. | Deposit date: | 2023-10-10 | Release date: | 2024-02-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Development of Potent Mcl-1 Inhibitors: Structural Investigations on Macrocycles Originating from a DNA-Encoded Chemical Library Screen. J.Med.Chem., 67, 2024
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6KZJ
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![BU of 6kzj by Molmil](/molmil-images/mine/6kzj) | Crystal structure of Ankyrin B/NdeL1 complex | Descriptor: | Ankyrin-2, Nuclear distribution protein nudE-like 1 | Authors: | Ye, J, Li, J, Ye, F, Zhang, M, Zhang, Y, Wang, C. | Deposit date: | 2019-09-24 | Release date: | 2020-01-15 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mechanistic insights into the interactions of dynein regulator Ndel1 with neuronal ankyrins and implications in polarity maintenance. Proc.Natl.Acad.Sci.USA, 117, 2020
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6AZ3
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![BU of 6az3 by Molmil](/molmil-images/mine/6az3) | Cryo-EM structure of of the large subunit of Leishmania ribosome bound to paromomycin | Descriptor: | 60S ribosomal protein L10, putative, 60S ribosomal protein L11 (L5, ... | Authors: | Shalev-Benami, M, Zhang, Y, Rozenberg, H, Nobe, Y, Taoka, M, Matzov, D, Zimmerman, E, Bashan, A, Isobe, T, Jaffe, C.L, Yonath, A, Skiniotis, G. | Deposit date: | 2017-09-09 | Release date: | 2017-12-06 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Atomic resolution snapshot of Leishmania ribosome inhibition by the aminoglycoside paromomycin. Nat Commun, 8, 2017
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6ITA
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![BU of 6ita by Molmil](/molmil-images/mine/6ita) | Crystal structure of intracellular B30.2 domain of BTN3A1 mutant | Descriptor: | Butyrophilin subfamily 3 member A1 | Authors: | Yang, Y.Y, Liu, W.D, Cai, N.N, Chen, C.C, Guo, R.T, Zhang, Y.H. | Deposit date: | 2018-11-20 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation. Immunity, 50, 2019
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2XCN
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![BU of 2xcn by Molmil](/molmil-images/mine/2xcn) | Crystal structure of HCV NS3 protease with a boronate inhibitor | Descriptor: | MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | Deposit date: | 2010-04-23 | Release date: | 2010-06-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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2XCF
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![BU of 2xcf by Molmil](/molmil-images/mine/2xcf) | Crystal structure of HCV NS3 protease with a boronate inhibitor | Descriptor: | CYCLOPENTYL N-[(2S)-1-[(2S,4R)-2-[[(4R)-8-HYDROXY-1,6,10-TRIOXA-5$L^{4}-BORASPIRO[4.5]DECAN-4-YL]CARBAMOYL]-4-ISOQUINOLIN-1-YLOXY-PYRROLIDIN-1-YL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE, MAGNESIUM ION, NS3 PROTEASE, ... | Authors: | Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E. | Deposit date: | 2010-04-22 | Release date: | 2010-06-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease. Bioorg.Med.Chem.Lett., 20, 2010
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5FBP
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![BU of 5fbp by Molmil](/molmil-images/mine/5fbp) | CRYSTAL STRUCTURE OF THE NEUTRAL FORM OF FRUCTOSE-1,6-BISPHOSPHATASE COMPLEXED WITH THE PRODUCT FRUCTOSE 6-PHOSPHATE AT 2.1-ANGSTROMS RESOLUTION | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, FRUCTOSE 1,6-BISPHOSPHATASE | Authors: | Ke, H, Liang, J.-Y, Zhang, Y, Lipscomb, W.N. | Deposit date: | 1991-02-11 | Release date: | 1992-07-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the neutral form of fructose-1,6-bisphosphatase complexed with the product fructose 6-phosphate at 2.1-A resolution. Proc.Natl.Acad.Sci.USA, 88, 1991
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6KBH
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![BU of 6kbh by Molmil](/molmil-images/mine/6kbh) | Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase | Descriptor: | Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H. | Deposit date: | 2019-06-25 | Release date: | 2020-07-01 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase To Be Published
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5X58
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![BU of 5x58 by Molmil](/molmil-images/mine/5x58) | Prefusion structure of SARS-CoV spike glycoprotein, conformation 1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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5X5B
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![BU of 5x5b by Molmil](/molmil-images/mine/5x5b) | Prefusion structure of SARS-CoV spike glycoprotein, conformation 2 | Descriptor: | Spike glycoprotein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2017-05-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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6M1D
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![BU of 6m1d by Molmil](/molmil-images/mine/6m1d) | ACE2-B0AT1 complex, open conformation | Descriptor: | Angiotensin-converting enzyme 2, Sodium-dependent neutral amino acid transporter B(0)AT1 | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | Deposit date: | 2020-02-25 | Release date: | 2020-03-11 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2. Science, 367, 2020
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6M18
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![BU of 6m18 by Molmil](/molmil-images/mine/6m18) | ACE2-B0AT1 complex | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yan, R.H, Zhang, Y.Y, Li, Y.N, Xia, L, Zhou, Q. | Deposit date: | 2020-02-25 | Release date: | 2020-03-11 | Last modified: | 2020-11-04 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis for the recognition of SARS-CoV-2 by full-length human ACE2. Science, 367, 2020
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5X5C
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![BU of 5x5c by Molmil](/molmil-images/mine/5x5c) | Prefusion structure of MERS-CoV spike glycoprotein, conformation 1 | Descriptor: | S protein | Authors: | Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F. | Deposit date: | 2017-02-15 | Release date: | 2017-05-03 | Last modified: | 2017-05-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains Nat Commun, 8, 2017
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6BM0
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![BU of 6bm0 by Molmil](/molmil-images/mine/6bm0) | Cryo-EM structure of human CPSF-160-WDR33 complex at 3.8 A resolution | Descriptor: | Cleavage and polyadenylation specificity factor subunit 1, pre-mRNA 3' end processing protein WDR33 | Authors: | Sun, Y, Zhang, Y, Hamilton, K, Walz, T, Tong, L. | Deposit date: | 2017-11-12 | Release date: | 2017-11-22 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Molecular basis for the recognition of the human AAUAAA polyadenylation signal. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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