3VSB
 
 | | SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | | Descriptor: | SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII | | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | | Deposit date: | 1997-09-25 | | Release date: | 1998-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
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6PES
 | | Cryo-EM structure of alpha-synuclein H50Q Wide Fibril | | Descriptor: | Alpha-synuclein | | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | Deposit date: | 2019-06-20 | | Release date: | 2019-11-27 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
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8DZ2
 | | Crystal Structure of SARS-CoV-2 Main protease in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.129 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8DZ6
 | | Crystal Structure of SARS-CoV-2 Main protease mutant Q189K in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.366 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8DZ0
 | | Crystal Structure of SARS-CoV-2 Main protease in complex with Ensitrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-06 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8DZA
 | | Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-06 | | Release date: | 2022-10-05 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.961 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8DZ1
 | | Crystal Structure of SARS-CoV-2 Main protease mutant M49I in complex with Ensitrelvir | | Descriptor: | 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-06 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8E26
 | | Crystal Structure of SARS-CoV-2 Main Protease N142S mutant in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Godoy, A.S, Oliva, G. | | Deposit date: | 2022-08-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.845 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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6M9D
 | | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Chymostatin | | Descriptor: | CALCIUM ION, Chymostatin A, SEDOLISIN | | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | | Deposit date: | 2018-08-23 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase
Biochemistry, 40, 2001
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8E25
 | | Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab | | Authors: | Noske, G.D, Godoy, A.S, Oliva, G. | | Deposit date: | 2022-08-14 | | Release date: | 2022-10-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8AWT
 | | IAPP S20G lag-phase fibril polymorph 2PF-P | | Descriptor: | Islet amyloid polypeptide | | Authors: | Wilkinson, M, Xu, Y, Gallardo, R, Radford, S.E, Ranson, N.A. | | Deposit date: | 2022-08-30 | | Release date: | 2024-01-10 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural evolution of fibril polymorphs during amyloid assembly.
Cell, 186, 2023
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6PEO
 | | Cryo-EM structure of alpha-synuclein H50Q Narrow Fibril | | Descriptor: | Alpha-synuclein | | Authors: | Boyer, D.R, Li, B, Sawaya, M.R, Jiang, L, Eisenberg, D.S. | | Deposit date: | 2019-06-20 | | Release date: | 2019-11-27 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of fibrils formed by alpha-synuclein hereditary disease mutant H50Q reveal new polymorphs.
Nat.Struct.Mol.Biol., 26, 2019
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6N3A
 | | SegA-long, conformation of TDP-43 low complexity domain segment A long | | Descriptor: | TAR DNA-binding protein 43, segA long small | | Authors: | Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2018-11-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
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6N37
 | | SegA-sym, conformation of TDP-43 low complexity domain segment A sym | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2018-11-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
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5Z23
 | | Crystal structure of the nucleosome containing a chimeric histone H3/CENP-A CATD | | Descriptor: | DNA (146-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Arimura, Y, Tachiwana, H, Takagi, H. | | Deposit date: | 2017-12-28 | | Release date: | 2019-02-13 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism.
Nat Commun, 10, 2019
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6N3C
 | | SegB, conformation of TDP-43 low complexity domain segment A | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2018-11-14 | | Release date: | 2019-06-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
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5W50
 | | Crystal structure of the segment, LIIKGI, from the RRM2 of TDP-43, residues 248-253 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Trinh, H, Sawaya, M.R, Eisenberg, D.S. | | Deposit date: | 2017-06-13 | | Release date: | 2018-02-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Atomic-level evidence for packing and positional amyloid polymorphism by segment from TDP-43 RRM2.
Nat. Struct. Mol. Biol., 25, 2018
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6SDG
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6HGN
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5W52
 | | MicroED structure of the segment, DLIIKGISVHI, from the RRM2 of TDP-43, residues 247-257 | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Guenther, E.L, Sawaya, M.R, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2017-06-13 | | Release date: | 2018-02-21 | | Last modified: | 2024-04-03 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.4 Å) | | Cite: | Atomic-level evidence for packing and positional amyloid polymorphism by segment from TDP-43 RRM2.
Nat. Struct. Mol. Biol., 25, 2018
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6HGJ
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8DZ9
 | | Crystal Structure of SARS-CoV-2 Main protease G143S mutant in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-06 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.664 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8E1Y
 | | Crystal Structure of SARS-CoV-2 Main protease A193S mutant in complex with Nirmatrelvir | | 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, DIMETHYL SULFOXIDE | | Authors: | Noske, G.D, Oliva, G, Godoy, A.S. | | Deposit date: | 2022-08-11 | | Release date: | 2022-08-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
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8BXW
 | | Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Carvacrol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1-BUTANOL, 2-methyl-5-propan-2-yl-phenol, ... | | Authors: | Liggri, P.G.V, Tsitsanou, K.E, Zographos, S.E. | | Deposit date: | 2022-12-10 | | Release date: | 2023-03-22 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Int.J.Biol.Macromol., 237, 2023
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5ZBX
 | | The crystal structure of the nucleosome containing histone H3.1 CATD(V76Q, K77D) | | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ... | | Authors: | Arimura, Y, Takagi, H, Kurumizaka, H. | | Deposit date: | 2018-02-13 | | Release date: | 2019-02-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | The CENP-A centromere targeting domain facilitates H4K20 monomethylation in the nucleosome by structural polymorphism.
Nat Commun, 10, 2019
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