8ALM
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8ALL
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![BU of 8all by Molmil](/molmil-images/mine/8all) | 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: | 2022-08-01 | 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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8ALH
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8AKP
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![BU of 8akp by Molmil](/molmil-images/mine/8akp) | Crystal structure of the catalytic domain of G7048 from Penicillium sumatraense | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, catalytic domain of G7048 | Authors: | Troilo, F, Scafati, V, Giovannoni, M, Mattei, B, Benedetti, M, Angelucci, F, Di Matteo, A. | Deposit date: | 2022-07-30 | Release date: | 2022-12-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of two 1,3-beta-glucan-modifying enzymes from Penicillium sumatraense reveals new insights into 1,3-beta-glucan metabolism of fungal saprotrophs. Biotechnol Biofuels Bioprod, 15, 2022
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8AKM
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![BU of 8akm by Molmil](/molmil-images/mine/8akm) | Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKL
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![BU of 8akl by Molmil](/molmil-images/mine/8akl) | Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2S,3R,4R)-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKK
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![BU of 8akk by Molmil](/molmil-images/mine/8akk) | Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKJ
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![BU of 8akj by Molmil](/molmil-images/mine/8akj) | Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKI
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![BU of 8aki by Molmil](/molmil-images/mine/8aki) | Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q) | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ... | Authors: | Tooke, C.L, Hinchliffe, P, Spencer, J. | Deposit date: | 2022-07-29 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. J.Am.Chem.Soc., 145, 2023
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8AKH
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![BU of 8akh by Molmil](/molmil-images/mine/8akh) | Crystal structure of DltE from L. plantarum soaked with LTA | Descriptor: | Beta-lactamase family protein, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | Deposit date: | 2022-07-29 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 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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8AK3
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8AK2
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![BU of 8ak2 by Molmil](/molmil-images/mine/8ak2) | Drosophila melanogaster UNC89 Protein Kinase Domain 1 (apo) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Obscurin | Authors: | Dorendorf, T, Zacharchenko, T, Mayans, O. | Deposit date: | 2022-07-29 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | PK1 from Drosophila obscurin is an inactive pseudokinase with scaffolding properties. Open Biology, 13, 2023
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8AJZ
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![BU of 8ajz by Molmil](/molmil-images/mine/8ajz) | Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase at 2 milliseconds after irradiation by a 532 nm laser | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | Authors: | Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Bosman, R, Dahl, P, Nango, E, Tanaka, R, Zoric, D, Svensson, E, Nakane, T, Iwata, S, Neutze, R, Branden, G. | Deposit date: | 2022-07-29 | Release date: | 2023-08-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase. Sci Adv, 9, 2023
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8AJY
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![BU of 8ajy by Molmil](/molmil-images/mine/8ajy) | Ruminococcus flavefaciens Cohesin-Dockerin structure: dockerin from ScaH adaptor scaffoldin in complex with the cohesin from ScaE anchoring scaffoldin | Descriptor: | CALCIUM ION, Cell-wall anchoring protein, Dockerin from ScaH, ... | Authors: | Alves, V.D, Bule, P, Fontes, C.M.G.A, Carvalho, A.L.M, Najmudin, S, Duarte, M. | Deposit date: | 2022-07-28 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-function studies can improve binding affinity of cohesin-dockerin interactions for multi-protein assemblies. Int.J.Biol.Macromol., 224, 2023
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8AJV
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![BU of 8ajv by Molmil](/molmil-images/mine/8ajv) | Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa crystallized in the presence of K+ cations | Descriptor: | Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | Deposit date: | 2022-07-28 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Q65N mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa crystallized in the presence of K+ cations To Be Published
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8AJU
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![BU of 8aju by Molmil](/molmil-images/mine/8aju) | Crystal structure of the Q65A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations | Descriptor: | ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ... | Authors: | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | Deposit date: | 2022-07-28 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.645 Å) | Cite: | Crystal structure of the Q65A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations To Be Published
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8AJT
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![BU of 8ajt by Molmil](/molmil-images/mine/8ajt) | Crystal structure of the H323A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | Authors: | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | Deposit date: | 2022-07-28 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Crystal structure of the H323A mutant of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa cocrystallized with adenosine in the presence of K+ cations To Be Published
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8AJQ
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8AJL
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![BU of 8ajl by Molmil](/molmil-images/mine/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
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![BU of 8ajk by Molmil](/molmil-images/mine/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
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![BU of 8aji by Molmil](/molmil-images/mine/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
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![BU of 8aja by Molmil](/molmil-images/mine/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
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![BU of 8aj7 by Molmil](/molmil-images/mine/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
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![BU of 8aj6 by Molmil](/molmil-images/mine/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
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![BU of 8aj0 by Molmil](/molmil-images/mine/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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