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
 | | 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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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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6C4Z
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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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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
 | | 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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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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7T42
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 2c | | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
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7T44
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 4c | | Descriptor: | (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
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7T43
 | | Structure of SARS-CoV-2 3CL protease in complex with inhibitor 3c | | Descriptor: | (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | | Authors: | Liu, L, Lovell, S, Battaile, K.P, Chamandi, S.D, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2021-12-09 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure-Guided Design of Potent Spirocyclic Inhibitors of Severe Acute Respiratory Syndrome Coronavirus-2 3C-like Protease.
J.Med.Chem., 65, 2022
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7SUD
 | | CryoEM structure of DNA-PK complex VIII | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-dependent protein kinase catalytic subunit, MAGNESIUM ION, ... | | Authors: | Chen, X, Liu, L, Gellert, M, Yang, W. | | Deposit date: | 2021-11-16 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-19 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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7SU3
 | | CryoEM structure of DNA-PK complex VII | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*G)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), ... | | Authors: | Chen, X, Liu, L, Gellert, M, Yang, W. | | Deposit date: | 2021-11-16 | | Release date: | 2022-01-12 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends.
Mol.Cell, 82, 2022
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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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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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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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5GN1
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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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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
 | | 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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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
 | | 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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7E2U
 | | Synechocystis GUN4 in complex with phytochrome | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, ... | | Authors: | Liu, L, Hu, J. | | Deposit date: | 2021-02-07 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
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7E2T
 | | Synechocystis GUN4 in complex with phycocyanobilin | | Descriptor: | 3-[2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, CHLORIDE ION, Ycf53-like protein | | Authors: | Liu, L, Hu, J. | | Deposit date: | 2021-02-07 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
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7E2R
 | | The ligand-free structure of Arabidopsis thaliana GUN4 | | Descriptor: | Tetrapyrrole-binding protein, chloroplastic | | Authors: | Liu, L, Hu, J. | | Deposit date: | 2021-02-07 | | Release date: | 2021-08-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of bilin binding by the chlorophyll biosynthesis regulator GUN4.
Protein Sci., 30, 2021
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