8E6E
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![BU of 8e6e by Molmil](/molmil-images/mine/8e6e) | Crystal structure of MERS 3CL protease in complex with a phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, Orf1a protein | Authors: | Liu, L, Lovell, S, Battaile, K.P, Madden, T.K, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E6C
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![BU of 8e6c by Molmil](/molmil-images/mine/8e6c) | Crystal structure of MERS 3CL protease in complex with a m-fluorophenyl dimethyl sulfane inhibitor | Descriptor: | Orf1a protein, [2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F46
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![BU of 8f46 by Molmil](/molmil-images/mine/8f46) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor (cyano warhead) | Descriptor: | 3C-like proteinase, N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide, TETRAETHYLENE GLYCOL | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8F44
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![BU of 8f44 by Molmil](/molmil-images/mine/8f44) | Crystal structure of SARS-CoV-2 3CL protease in complex with a dimethyl phenyl sulfane inhibitor | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase, ... | Authors: | Liu, L, Lovell, S, Cooper, A, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-11-10 | Release date: | 2022-11-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E6D
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![BU of 8e6d by Molmil](/molmil-images/mine/8e6d) | Crystal structure of MERS 3CL protease in complex with a p-fluorophenyl dimethyl sulfane inhibitor | Descriptor: | (1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Orf1a protein | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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8E6B
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![BU of 8e6b by Molmil](/molmil-images/mine/8e6b) | Crystal structure of MERS 3CL protease in complex with a dimethyl sulfinyl benzene inhibitor | Descriptor: | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid, N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide, Orf1a protein | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dampalla, C.S, Groutas, W.C. | Deposit date: | 2022-08-22 | Release date: | 2022-09-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV). Eur.J.Med.Chem., 254, 2023
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6C4X
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![BU of 6c4x by Molmil](/molmil-images/mine/6c4x) | Cross-alpha Amyloid-like Structure alphaAmmem | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ZINC ION, cross-alpha amyloid-like membrane peptide alpha-AmMEM | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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6C50
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![BU of 6c50 by Molmil](/molmil-images/mine/6c50) | Cross-alpha Amyloid-like Structure alphaAmS | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmS, FORMIC ACID | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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6C4Z
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![BU of 6c4z by Molmil](/molmil-images/mine/6c4z) | |
6C51
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![BU of 6c51 by Molmil](/molmil-images/mine/6c51) | Cross-alpha Amyloid-like Structure alphaAmL | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Cross-alpha Amyloid-like Structure alphaAmL, PHOSPHATE ION | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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6C4Y
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![BU of 6c4y by Molmil](/molmil-images/mine/6c4y) | Cross-alpha Amyloid-like Structure alphaAmG | Descriptor: | Cross-alpha Amyloid-like Structure alphaAmG | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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2VL7
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![BU of 2vl7 by Molmil](/molmil-images/mine/2vl7) | Structure of S. tokodaii Xpd4 | Descriptor: | PHOSPHATE ION, XPD | Authors: | Naismith, J.H, Johnson, K.A, Oke, M, McMahon, S.A, Liu, L, White, M.F, Zawadski, M, Carter, L.G. | Deposit date: | 2008-01-08 | Release date: | 2008-05-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the DNA Repair Helicase Xpd. Cell(Cambridge,Mass.), 133, 2008
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6C52
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![BU of 6c52 by Molmil](/molmil-images/mine/6c52) | Cross-alpha Amyloid-like Structure alphaTet | Descriptor: | Cross-alpha Amyloid-like Structure alphaTet, GLYCEROL | Authors: | Liu, L, Zhang, S.Q. | Deposit date: | 2018-01-13 | Release date: | 2018-08-15 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Designed peptides that assemble into cross-alpha amyloid-like structures. Nat. Chem. Biol., 14, 2018
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2PL5
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![BU of 2pl5 by Molmil](/molmil-images/mine/2pl5) | Crystal Structure of Homoserine O-acetyltransferase from Leptospira interrogans | Descriptor: | GLYCEROL, Homoserine O-acetyltransferase | Authors: | Liu, L, Wang, M, Wang, Y, Wei, Z, Xu, H, Gong, W. | Deposit date: | 2007-04-19 | Release date: | 2007-11-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of homoserine O-acetyltransferase from Leptospira interrogans Biochem.Biophys.Res.Commun., 363, 2007
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5XWY
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![BU of 5xwy by Molmil](/molmil-images/mine/5xwy) | Electron cryo-microscopy structure of LbuCas13a-crRNA binary complex | Descriptor: | A type VI-A CRISPR-Cas RNA-guided RNA ribonuclease, Cas13a, RNA (59-MER) | Authors: | Zhang, X, Wang, Y, Ma, J, Liu, L, Li, X, Li, Z, You, L, Wang, J, Wang, M. | Deposit date: | 2017-06-30 | Release date: | 2017-09-13 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a. Cell, 170, 2017
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6A73
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![BU of 6a73 by Molmil](/molmil-images/mine/6a73) | Complex structure of CSN2 with IP6 | Descriptor: | COP9 signalosome complex subunit 2,Endolysin, INOSITOL HEXAKISPHOSPHATE, SULFATE ION | Authors: | Liu, L, Li, D, Rao, F, Wang, T. | Deposit date: | 2018-07-02 | Release date: | 2019-07-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.447 Å) | Cite: | Basis for metabolite-dependent Cullin-RING ligase deneddylation by the COP9 signalosome. Proc.Natl.Acad.Sci.USA, 117, 2020
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5GN1
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![BU of 5gn1 by Molmil](/molmil-images/mine/5gn1) | |
6LAN
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![BU of 6lan by Molmil](/molmil-images/mine/6lan) | Structure of CCDC50 and LC3B complex | Descriptor: | Coiled-coil domain-containing protein 50,Microtubule-associated proteins 1A/1B light chain 3B | Authors: | Liu, L, Li, J, Hou, P. | Deposit date: | 2019-11-12 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A novel selective autophagy receptor, CCDC50, delivers K63 polyubiquitination-activated RIG-I/MDA5 for degradation during viral infection. Cell Res., 31, 2021
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7TQ8
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![BU of 7tq8 by Molmil](/molmil-images/mine/7tq8) | Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 14d | Descriptor: | (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, Orf1a protein, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-03-02 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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7TL8
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![BU of 7tl8 by Molmil](/molmil-images/mine/7tl8) | 1.95A resolution structure of independent phosphoglycerate mutase from S. aureus in complex with a macrocyclic peptide inhibitor (Sa-D3) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, MANGANESE (II) ION, Peptide Sa-D3 | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases. Acs Chem.Biol., 17, 2022
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7TL7
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![BU of 7tl7 by Molmil](/molmil-images/mine/7tl7) | 1.90A resolution structure of independent phosphoglycerate mutase from C. elegans in complex with a macrocyclic peptide inhibitor (Sa-D2) | Descriptor: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, IMIDAZOLE, SODIUM ION, ... | Authors: | Liu, L, Lovell, S, Battaile, K.P, Dranchak, P, Queme, B, Aitha, M, van Neer, R.H.P, Kimura, H, Katho, T, Suga, H, Inglese, J. | Deposit date: | 2022-01-18 | Release date: | 2022-08-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Serum-Stable and Selective Backbone-N-Methylated Cyclic Peptides That Inhibit Prokaryotic Glycolytic Mutases. Acs Chem.Biol., 17, 2022
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7XRP
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![BU of 7xrp by Molmil](/molmil-images/mine/7xrp) | Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1 | Authors: | Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N. | Deposit date: | 2022-05-11 | Release date: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode. J Nanobiotechnology, 20, 2022
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5ZB2
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![BU of 5zb2 by Molmil](/molmil-images/mine/5zb2) | Crystal structure of Rad7 and Elc1 complex in yeast | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ... | Authors: | Jiang, T, Liu, L, Huo, Y. | Deposit date: | 2018-02-09 | Release date: | 2019-02-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.30000544 Å) | Cite: | Crystal structure of the yeast Rad7-Elc1 complex and assembly of the Rad7-Rad16-Elc1-Cul3 complex. DNA Repair (Amst.), 77, 2019
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7BWD
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![BU of 7bwd by Molmil](/molmil-images/mine/7bwd) | Structure of Dot1L-H2BK34ub Nucleosome Complex | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Lou, Z.Y, Liu, L, Cao, L, Ai, H.S, Sun, Z.X. | Deposit date: | 2020-04-14 | Release date: | 2021-04-14 | Method: | ELECTRON MICROSCOPY (4.32 Å) | Cite: | Structure of the Dot1L-H2BK34ub Nucleosome Complex Reveals an Unprecedented Crosstalk Activation Mechanism through Nucleosome Shape Distortion To Be Published
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7FH6
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![BU of 7fh6 by Molmil](/molmil-images/mine/7fh6) | Friedel-Crafts alkylation enzyme CylK | Descriptor: | CALCIUM ION, CHLORIDE ION, CylK, ... | Authors: | Liu, L, Wang, H.Q, Xiang, Z. | Deposit date: | 2021-07-29 | Release date: | 2022-02-16 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for the Friedel-Crafts Alkylation in Cylindrocyclophane Biosynthesis ACS Catal., 12, 2022
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