8AJL
 
 | | Structure of the Ancestral Scaffold Antigen-6 of Coronavirus Spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Hueting, D, Schriever, K, Wallden, K, Andrell, J, Syren, P.O. | | Deposit date: | 2022-07-28 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.77 Å) | | Cite: | Design, structure and plasma binding of ancestral beta-CoV scaffold antigens.
Nat Commun, 14, 2023
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8AJK
 | | Crystal structure of a C43S variant from the disulfide reductase MerA from Staphylococcus aureus | | Descriptor: | FAD-containing oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Weiland, P, Altegoer, F, Bange, G. | | Deposit date: | 2022-07-28 | | Release date: | 2023-03-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | MerA functions as a hypothiocyanous acid reductase and defense mechanism in Staphylococcus aureus.
Mol.Microbiol., 119, 2023
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8AJI
 | | Crystal structure of DltE from L. plantarum, TCEP form | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Beta-lactamase family protein, GLYCEROL, ... | | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | | Deposit date: | 2022-07-28 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structure-function analysis of Lactiplantibacillus plantarum DltE& reveals D-alanylated lipoteichoic acids as direct cues supporting Drosophila juvenile growth.
Elife, 12, 2023
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8AJA
 | | Structure of the Ancestral Scaffold Antigen-5 of Coronavirus Spike protein | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin | | Authors: | Hueting, D, Schriever, K, Wallden, K, Andrell, J, Syren, P.O. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.59 Å) | | Cite: | Design, structure and plasma binding of ancestral beta-CoV scaffold antigens.
Nat Commun, 14, 2023
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8AJ7
 | | Kunitz domain of Amblyomin-X | | Descriptor: | 1,2-ETHANEDIOL, Kunitz domain of Amblyomin-X | | Authors: | Ciccone, L, Servent, D, Stura, E.A. | | Deposit date: | 2022-07-27 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity.
Front Mol Biosci, 10, 2023
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8AJ6
 | | cyanide-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) | | Descriptor: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | | Authors: | Duan, J, Hofmann, E, Happe, T. | | Deposit date: | 2022-07-27 | | Release date: | 2022-12-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8AJ0
 | | Mpro of SARS COV-2 in complex with the RK-90 inhibitor | | Descriptor: | (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide, 3C-like proteinase nsp5, CHLORIDE ION, ... | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.519 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor RK-90
To Be Published
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8AIZ
 | | Mpro of SARS-CoV-2 in complex with the RK-68 inhibitor | | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide, CHLORIDE ION, Replicase polyprotein 1ab | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Main Protease SARS-CoV-2 in complex with the inhibitor RK-68
To Be Published
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8AIV
 | | Mpro of SARS COV-2 in complex with the MG-100 inhibitor | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-100
To Be Published
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8AIU
 | | Mpro of SARS COV-2 in complex with the MG-97 inhibitor | | Descriptor: | 3C-like proteinase nsp5, CHLORIDE ION, tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-97
To Be Published
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8AIQ
 | | Mpro of SARS COV-2 in complex with the MG-87 inhibitor | | Descriptor: | CHLORIDE ION, Replicase polyprotein 1ab, ~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | Authors: | El Kilani, H, Hilgenfeld, R. | | Deposit date: | 2022-07-27 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Main Protease SARS-COV-2 in complex with the inhibitor MG-87
To Be Published
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8AIO
 | | CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) | | Descriptor: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | | Authors: | Duan, J, Hofmann, E, Happe, T. | | Deposit date: | 2022-07-26 | | Release date: | 2022-12-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Cyanide Binding to [FeFe]-Hydrogenase Stabilizes the Alternative Configuration of the Proton Transfer Pathway.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8AIN
 | | MCUGI SAUNG complex | | Descriptor: | 1,2-ETHANEDIOL, MCUGI, SULFATE ION, ... | | Authors: | Muselmani, W, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AIM
 | | Ugi-2 SAUNG complex | | Descriptor: | Uracil-DNA glycosylase, Uracil-DNA glycosylase inhibitor | | Authors: | Muselmani, W, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AIL
 | | Bacillus phage VMY22 p56 in complex with Bacillus weidmannii Ung | | Descriptor: | Bacillus phage VMY22 p56, GLYCEROL, IODIDE ION, ... | | Authors: | Muselmani, W, Bagneris, C, Savva, R. | | Deposit date: | 2022-07-26 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Multimodal Approach towards Genomic Identification of Protein Inhibitors of Uracil-DNA Glycosylase.
Viruses, 15, 2023
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8AII
 | | High Resolution Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase Complexed with Adenine | | Descriptor: | ADENINE, MAGNESIUM ION, Probable nicotinate-nucleotide adenylyltransferase, ... | | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | | Deposit date: | 2022-07-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Int.J.Biol.Macromol., 250, 2023
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8AIH
 | | Crystal Structure of Enterococcus faecium Nicotinate Nucleotide Adenylyltransferase at 1.9 Angstroms Resolution | | Descriptor: | DIHYDROGENPHOSPHATE ION, Probable nicotinate-nucleotide adenylyltransferase, SULFATE ION | | Authors: | Pandian, R, Jeje, O.A, Sayed, Y, Achilonu, I.A. | | Deposit date: | 2022-07-26 | | Release date: | 2023-08-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Obtaining high yield recombinant Enterococcus faecium nicotinate nucleotide adenylyltransferase for X-ray crystallography and biophysical studies.
Int.J.Biol.Macromol., 250, 2023
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8AIG
 | | NMR structure of holo-acp | | Descriptor: | 4'-PHOSPHOPANTETHEINE, Hybrid non ribosomal peptide synthetase-polyketide synthase | | Authors: | Collin, S, Weissman, K.J, Chagot, B, Gruez, A. | | Deposit date: | 2022-07-26 | | Release date: | 2023-03-22 | | Last modified: | 2023-03-29 | | Method: | SOLUTION NMR | | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis.
Nat Commun, 14, 2023
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8AIE
 | | Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense complexed with D-cycloserine | | Descriptor: | 3-azanyloxy-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]propanoic acid, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aminotransferase class IV, ... | | Authors: | Matyuta, I.O, Boyko, K.M, Nikolaeva, A.Y, Shilova, S.A, Popov, V.O, Bezsudnova, E.Y. | | Deposit date: | 2022-07-26 | | Release date: | 2022-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 3D Structure of D-Аmino Acid Тransaminase from Aminobacterium colombiense in Complex with D-Cycloserine
Crystallography Reports, 68, 2023
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8AIB
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8AI9
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8AI8
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8AI7
 | | Structure of carbamoylated human butyrylcholinesterase upon reaction with 3-(((2-cycloheptylethyl)(methyl)amino)methyl)-1H-indol-7-yl N,N-dimethylcarbamate | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[2-cycloheptylethyl(methyl)amino]methyl]-1~{H}-indol-7-ol, ... | | Authors: | Brazzolotto, X, Meden, A, Knez, D, Gobec, S, Nachon, F. | | Deposit date: | 2022-07-25 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Pseudo-irreversible butyrylcholinesterase inhibitors: Structure-activity relationships, computational and crystallographic study of the N-dialkyl O-arylcarbamate warhead.
Eur.J.Med.Chem., 247, 2023
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8AI4
 | | Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters, S-adenosyl-L-homocysteine and RiPP peptide 5 bound | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Polsinelli, I, Fyfe, C.D, Legrand, P, Kubiak, X, Chavas, L.M.G, Berteau, O, Benjdia, A. | | Deposit date: | 2022-07-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and mechanistic basis for RiPP epimerization by a radical SAM enzyme.
Nat.Chem.Biol., 20, 2024
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8AI3
 | | Crystal structure of radical SAM epimerase EpeE C223A mutant from Bacillus subtilis with [4Fe-4S] clusters and S-adenosyl-L-methionine bound | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IRON/SULFUR CLUSTER, ... | | Authors: | Kubiak, X, Chavas, L.M.G, Legrand, P, Polsinelli, I, Fyfe, C.D, Benjdia, A, Berteau, O. | | Deposit date: | 2022-07-25 | | Release date: | 2024-01-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and mechanistic basis for RiPP epimerization by a radical SAM enzyme.
Nat.Chem.Biol., 20, 2024
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