6IBX
 
 | | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 | | Descriptor: | 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | | Authors: | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | | Deposit date: | 2018-12-01 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties.
Bioorg. Med. Chem. Lett., 29, 2019
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8CRH
 | | Crystal structure of Candida auris dihydrofolate reductase complexed with NADPH and cycloguanil | | Descriptor: | 5-(4-chlorophenyl)-6,6-dimethyl-1,4-dihydro-1,3,5-triazine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Kirkman, T.J, Dias, M.V.B. | | Deposit date: | 2023-03-08 | | Release date: | 2023-08-02 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal structure of dihydrofolate reductase from the emerging pathogenic fungus Candida auris.
Acta Crystallogr D Struct Biol, 79, 2023
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8CYZ
 | | Crystal structure of SARS-CoV-2 Mpro with compound C4 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8DAP
 | | [GA/TC] Self-Assembled 3D DNA Tensegrity Triangle with 24 bp Arm Length forming a Trigonal Hexagon | | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*CP*TP*AP*CP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*GP*AP*TP*GP*TP*GP*GP*CP*TP*AP*GP*GP*C)-3'), DNA (5'-D(P*TP*AP*CP*AP*CP*CP*GP*TP*AP*CP*AP*CP*CP*GP*TP*AP*CP*AP*CP*CP*G)-3') | | Authors: | Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R. | | Deposit date: | 2022-06-13 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (6.47 Å) | | Cite: | Highly Symmetric, Self-Assembling 3D DNA Crystals with Cubic and Trigonal Lattices.
Small, 19, 2023
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8CZ7
 | | Crystal structure of SARS-CoV-2 Mpro with compound C2 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CYU
 | | Crystal structure of SARS-CoV-2 Mpro with compound C5 | | Descriptor: | 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8CZ4
 | | Crystal structure of SARS-CoV-2 Mpro with compound C3 | | Descriptor: | 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide | | Authors: | Worrall, L.J, Lee, J, Strynadka, N.C.J. | | Deposit date: | 2022-05-24 | | Release date: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
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8D31
 | | [AG/TC] Self-Assembled 3D DNA Cubic Tensegrity Triangle with 24 bp Arm Length | | Descriptor: | DNA (5'-D(*AP*GP*GP*CP*CP*TP*AP*CP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*AP*GP*GP*CP*CP*TP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*AP*G)-3'), DNA (5'-D(*TP*CP*CP*TP*GP*AP*TP*GP*T)-3'), ... | | Authors: | Lu, B, Vecchioni, S, Ohayon, Y.P, Seeman, N.C, Mao, C, Sha, R. | | Deposit date: | 2022-05-31 | | Release date: | 2023-01-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (7.45 Å) | | Cite: | Highly Symmetric, Self-Assembling 3D DNA Crystals with Cubic and Trigonal Lattices.
Small, 19, 2023
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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: | 2023-10-25 | | 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: | 2023-10-25 | | 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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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: | 2023-10-25 | | 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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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: | 2023-10-25 | | 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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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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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: | 2023-10-25 | | 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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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: | 2023-10-25 | | 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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8DRM
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8DRJ
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8DRD
 | | Ni(II)-bound B2 dimer (H60/H100/H104) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, HEME C, NICKEL (II) ION, ... | | Authors: | Choi, T.S, Tezcan, F.A. | | Deposit date: | 2022-07-20 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
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8DRL
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8DRF
 | | Zn(II)-bound B2 dimer (H60/H100/H104) | | Descriptor: | HEME C, Soluble cytochrome b562, ZINC ION | | Authors: | Choi, T.S, Tezcan, F.A. | | Deposit date: | 2022-07-20 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design of a Flexible, Zn-Selective Protein Scaffold that Displays Anti-Irving-Williams Behavior.
J.Am.Chem.Soc., 144, 2022
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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: | 2023-10-25 | | 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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6H23
 | | Crystal structure of the hClpP Y118A mutant with an activating small molecule | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Kick, L.M, Sieber, S.A, Schneider, S. | | Deposit date: | 2018-07-13 | | Release date: | 2018-08-29 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (3.089 Å) | | Cite: | Selective Activation of Human Caseinolytic Protease P (ClpP).
Angew. Chem. Int. Ed. Engl., 57, 2018
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6GPA
 | | Beta-1,4-galactanase from Bacteroides thetaiotaomicron with galactose | | Descriptor: | Arabinogalactan endo-beta-1,4-galactanase, beta-D-galactopyranose | | Authors: | Hekelaar, J, Boger, M, Leeuwen van, S.S, Lammerts van Bueren, A, Dijkhuizen, L. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-26 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structural and functional characterization of a family GH53 beta-1,4-galactanase from Bacteroides thetaiotaomicron that facilitates degradation of prebiotic galactooligosaccharides.
J. Struct. Biol., 205, 2019
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6HJS
 | | Crystal structure of glutathione transferase Omega 1C from Trametes versicolor | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE, Uncharacterized protein | | Authors: | Schwartz, M, Favier, F, Didierjean, C. | | Deposit date: | 2018-09-04 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.612 Å) | | Cite: | Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches.
Fungal Genet Biol., 2021
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