8EZV
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-01 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8EZZ
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a2 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-01 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8F2D
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML4006a | Descriptor: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-07 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8F02
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML2006a4 | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-01 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8F2C
| SARS-CoV-2 Main Protease (Mpro) in Complex with ML3006a | Descriptor: | (1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-11-07 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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8WGH
| Cryo-EM structure of the red-shifted Fittonia albivenis PSI-LHCI | Descriptor: | (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Huang, G.Q, Li, X.X, Sui, S.F, Qin, X.C. | Deposit date: | 2023-09-21 | Release date: | 2024-07-10 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structure of the red-shifted Fittonia albivenis photosystem I. Nat Commun, 15, 2024
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7XIV
| Structural insight into the interactions between Lloviu virus VP30 and nucleoprotein | Descriptor: | Nucleocapsid protein,Minor nucleoprotein VP30 | Authors: | Dong, S.S, Qin, X.C, Sun, W.Y, Luan, F.C, Wang, J.J, Ma, L, Li, X.X, Yang, G.X, Hao, C.Y. | Deposit date: | 2022-04-14 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | Structural insights into the interactions between lloviu virus VP30 and nucleoprotein. Biochem.Biophys.Res.Commun., 616, 2022
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6XCJ
| Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ... | Authors: | Raymond, D.D, Chug, H, Harrison, S.C. | Deposit date: | 2020-06-08 | Release date: | 2020-12-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth. Science, 371, 2021
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7UUG
| SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with ML1006a | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-04-28 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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7UUP
| SARS-CoV-2 Main Protease S144A (Mpro S144A) in Complex with Nirmatrelvir (PF-07321332) | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | Deposit date: | 2022-04-28 | Release date: | 2023-10-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Sci Transl Med, 16, 2024
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6L1T
| Cryo-EM structure of phosphorylated Tyr39 a-synuclein amyloid fibril | Descriptor: | Alpha-synuclein | Authors: | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | Deposit date: | 2019-09-30 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L1U
| Cryo-EM structure of phosphorylated Tyr39 alpha-synuclein amyloid fibril | Descriptor: | Alpha-synuclein | Authors: | Liu, C, Li, Y.M, Zhao, K, Lim, Y.J, Liu, Z.Y. | Deposit date: | 2019-09-30 | Release date: | 2020-08-12 | Last modified: | 2020-09-02 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Parkinson's disease-related phosphorylation at Tyr39 rearranges alpha-synuclein amyloid fibril structure revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 117, 2020
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6L4S
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4O3F
| Crystal Structure of mouse PGK1 3PG and terazosin(TZN) ternary complex | Descriptor: | 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase 1, [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl][(2R)-tetrahydrofuran-2-yl]methanone | Authors: | Li, X.L, Finci, I.L, Wang, J.H. | Deposit date: | 2013-12-18 | Release date: | 2014-10-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.106 Å) | Cite: | Terazosin activates Pgk1 and Hsp90 to promote stress resistance. Nat.Chem.Biol., 11, 2015
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7U6R
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8IKH
| Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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8IKG
| Cryo-EM structure of human receptor with G proteins | Descriptor: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Shen, S.Y, Shao, Z.H. | Deposit date: | 2023-02-28 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1. Proc.Natl.Acad.Sci.USA, 121, 2024
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7YAC
| Paltusotine-bound SSTR2-Gi complex | 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, J, Shao, Z. | Deposit date: | 2022-06-27 | Release date: | 2023-04-19 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.24 Å) | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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7YAE
| Octreotide-bound SSTR2-Gi complex | Descriptor: | CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, J, Shao, Z. | Deposit date: | 2022-06-28 | Release date: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine. Nat Commun, 14, 2023
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6KTV
| The structure of EanB complex with hercynine and persulfided Cys412 | Descriptor: | 1,2-ETHANEDIOL, 1,3-PROPANDIOL, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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8KEH
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6KTX
| The wildtype structure of EanB | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-29 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.189 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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6KU1
| The structure of EanB/Y353A complex with ergothioneine | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Wu, L, Liu, P.H, Zhou, J.H. | Deposit date: | 2019-08-30 | Release date: | 2020-08-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Single-Step Replacement of an Unreactive C-H Bond by a C-S Bond Using Polysulfide as the Direct Sulfur Source in the Anaerobic Ergothioneine Biosynthesis Acs Catalysis, 10, 2020
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7CO5
| HtrA-type protease AlgW with decapeptide | Descriptor: | AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.345 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO3
| HtrA-type protease AlgWS227A with tripeptide | Descriptor: | AlgW protein, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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