4C4J
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![BU of 4c4j by Molmil](/molmil-images/mine/4c4j) | Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1 | Descriptor: | DUAL SPECIFICITY PROTEIN KINASE TTK, tert-butyl 6-{[2-chloro-4-(1-methyl-1H-imidazol-5-yl)phenyl]amino}-2-(1-methyl-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate | Authors: | Naud, S, Westwood, I.M, Faisal, A, Sheldrake, P, Bavetsias, V, Atrash, B, Liu, M, Hayes, A, Schmitt, J, Wood, A, Choi, V, Boxall, K, Mak, G, Gurden, M, Valenti, M, de Haven Brandon, A, Henley, A, Baker, R, McAndrew, C, Matijssen, B, Burke, R, Eccles, S.A, Raynaud, F.I, Linardopoulos, S, van Montfort, R, Blagg, J. | Deposit date: | 2013-09-05 | Release date: | 2013-12-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Orally Bioavailable 1H-Pyrrolo[3, 2-C]Pyridine Inhibitors of the Mitotic Kinase Monopolar Spindle 1 (Mps1). J.Med.Chem., 56, 2013
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3ROV
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![BU of 3rov by Molmil](/molmil-images/mine/3rov) | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | Deposit date: | 2011-04-26 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus To be Published
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2M01
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![BU of 2m01 by Molmil](/molmil-images/mine/2m01) | Solution structure of Kunitz-type neurotoxin LmKKT-1a from scorpion venom | Descriptor: | Protease inhibitor LmKTT-1a | Authors: | Luo, F, Jiang, L, Liu, M, Chen, Z, Wu, Y. | Deposit date: | 2012-10-15 | Release date: | 2013-11-13 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Genomic and structural characterization of Kunitz-type peptide LmKTT-1a highlights diversity and evolution of scorpion potassium channel toxins. Plos One, 8, 2013
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6K9L
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![BU of 6k9l by Molmil](/molmil-images/mine/6k9l) | 4.27 Angstrom resolution cryo-EM structure of human dimeric ATM kinase | Descriptor: | Serine-protein kinase ATM | Authors: | Xiao, J, Liu, M, Qi, Y, Chaban, Y, Gao, C, Tian, Y, Yu, Z, Li, J, Zhang, P, Xu, Y. | Deposit date: | 2019-06-16 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.27 Å) | Cite: | Structural insights into the activation of ATM kinase. Cell Res., 29, 2019
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6K9K
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![BU of 6k9k by Molmil](/molmil-images/mine/6k9k) | Monomeric human ATM (Ataxia telangiectasia mutated) kinase | Descriptor: | Serine-protein kinase ATM | Authors: | Xiao, J, Liu, M, Qi, Y, Yuriy, C, Zhang, P, Xu, Y. | Deposit date: | 2019-06-16 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (7.82 Å) | Cite: | Structural insights into the activation of ATM kinase. Cell Res., 29, 2019
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3QI4
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![BU of 3qi4 by Molmil](/molmil-images/mine/3qi4) | Crystal structure of PDE9A(Q453E) in complex with IBMX | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | Authors: | Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. | Deposit date: | 2011-01-26 | Release date: | 2011-04-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
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3SFD
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![BU of 3sfd by Molmil](/molmil-images/mine/3sfd) | crystal structure of porcine mitochondrial respiratory complex II bound with oxaloacetate and pentachlorophenol | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Zhou, Q.J, Zhai, Y.J, Liu, M, Sun, F. | Deposit date: | 2011-06-13 | Release date: | 2011-09-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature. Protein Cell, 2, 2011
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3SFE
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![BU of 3sfe by Molmil](/molmil-images/mine/3sfe) | crystal structure of porcine mitochondrial respiratory complex II bound with oxaloacetate and thiabendazole | Descriptor: | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... | Authors: | Zhou, Q.J, Zhai, Y.J, Liu, M, Sun, F. | Deposit date: | 2011-06-13 | Release date: | 2011-09-07 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature. Protein Cell, 2, 2011
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3UTN
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![BU of 3utn by Molmil](/molmil-images/mine/3utn) | Crystal structure of Tum1 protein from Saccharomyces cerevisiae | Descriptor: | DIMETHYL SULFOXIDE, SULFATE ION, Thiosulfate sulfurtransferase TUM1 | Authors: | Qiu, R, Wang, F, Liu, M, Ji, C, Gong, W. | Deposit date: | 2011-11-26 | Release date: | 2012-10-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Tum1 protein from the yeast Saccharomyces cerevisiae. Protein Pept.Lett., 19, 2012
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2H67
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![BU of 2h67 by Molmil](/molmil-images/mine/2h67) | NMR structure of human insulin mutant HIS-B5-ALA, HIS-B10-ASP PRO-B28-LYS, LYS-B29-PRO, 20 structures | Descriptor: | Insulin A chain, Insulin B chain | Authors: | Hua, Q.X, Liu, M, Hu, S.Q, Jia, W, Arvan, P, Weiss, M.A. | Deposit date: | 2006-05-30 | Release date: | 2006-07-18 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | A Conserved Histidine in Insulin Is Required for the Foldability of Human Proinsulin: Structure and function of an Alab5 analog. J.Biol.Chem., 281, 2006
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2LHZ
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![BU of 2lhz by Molmil](/molmil-images/mine/2lhz) | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LHV
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![BU of 2lhv by Molmil](/molmil-images/mine/2lhv) | Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2012-06-27 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LI0
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![BU of 2li0 by Molmil](/molmil-images/mine/2li0) | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LHY
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![BU of 2lhy by Molmil](/molmil-images/mine/2lhy) | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LI1
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![BU of 2li1 by Molmil](/molmil-images/mine/2li1) | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2020-07-29 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LHX
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![BU of 2lhx by Molmil](/molmil-images/mine/2lhx) | Di-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LHW
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![BU of 2lhw by Molmil](/molmil-images/mine/2lhw) | Tri-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LI2
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![BU of 2li2 by Molmil](/molmil-images/mine/2li2) | Mono-O-GalNAc glycosylated Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUC2 Mucin Domain Peptide | Authors: | Borgert, A, Heimburg-Molinaro, J, Lasanajak, Y, Ju, T, Liu, M, Thompson, P, Ragupathi, G, Barany, G, Cummings, R, Smith, D, Live, D. | Deposit date: | 2011-08-18 | Release date: | 2012-04-04 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Deciphering structural elements of mucin glycoprotein recognition. Acs Chem.Biol., 7, 2012
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2LIT
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![BU of 2lit by Molmil](/molmil-images/mine/2lit) | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in reduced states | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | Deposit date: | 2011-08-31 | Release date: | 2011-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
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2LIR
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![BU of 2lir by Molmil](/molmil-images/mine/2lir) | NMR Solution Structure of Yeast Iso-1-cytochrome c Mutant P71H in oxidized states | Descriptor: | Cytochrome c iso-1, HEME C | Authors: | Lan, W, Wang, Z, Yang, Z, Zhu, J, Ying, T, Jiang, X, Zhang, X, Wu, H, Liu, M, Tan, X, Cao, C, Huang, Z.X. | Deposit date: | 2011-08-31 | Release date: | 2011-12-07 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Conformational toggling of yeast iso-1-cytochrome C in the oxidized and reduced States. Plos One, 6, 2011
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2LW6
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![BU of 2lw6 by Molmil](/molmil-images/mine/2lw6) | Solution structure of an avirulence protein AvrPiz-t from pathogen Magnaportheoryzae | Descriptor: | AvrPiz-t protein | Authors: | Zhang, Z.-M, Zhang, X, Zhou, Z, Hu, H, Liu, M, Zhou, B, Zhou, J. | Deposit date: | 2012-07-23 | Release date: | 2012-09-12 | Last modified: | 2013-03-13 | Method: | SOLUTION NMR | Cite: | Solution structure of the Magnaporthe oryzae avirulence protein AvrPiz-t. J.Biomol.Nmr, 55, 2013
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4NM6
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![BU of 4nm6 by Molmil](/molmil-images/mine/4nm6) | Crystal structure of TET2-DNA complex | Descriptor: | 5'-D(*AP*CP*CP*AP*CP*(5CM)P*GP*GP*TP*GP*GP*T)-3', FE (II) ION, Methylcytosine dioxygenase TET2, ... | Authors: | Hu, L, Li, Z, Cheng, J, Rao, Q, Gong, W, Liu, M, Wang, P, Xu, Y. | Deposit date: | 2013-11-14 | Release date: | 2013-12-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.026 Å) | Cite: | Crystal Structure of TET2-DNA Complex: Insight into TET-Mediated 5mC Oxidation. Cell(Cambridge,Mass.), 155, 2013
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7C8U
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![BU of 7c8u by Molmil](/molmil-images/mine/7c8u) | The crystal structure of COVID-19 main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of COVID-19 main protease in complex with GC376 To Be Published
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4U01
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![BU of 4u01 by Molmil](/molmil-images/mine/4u01) | HCV NS3/4A serine protease in complex with 6570 | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | Deposit date: | 2014-07-11 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg.Med.Chem.Lett., 25, 2015
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7OIF
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![BU of 7oif by Molmil](/molmil-images/mine/7oif) | CspA-27 cotranslational folding intermediate 2 | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Agirrezabala, X, Samatova, E, Macher, M, Liutkute, M, Gil-Carton, D, Novacek, J, Valle, M, Rodnina, M.V. | Deposit date: | 2021-05-11 | Release date: | 2022-01-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | A switch from alpha-helical to beta-strand conformation during co-translational protein folding. Embo J., 41, 2022
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