8AM2
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![BU of 8am2 by Molmil](/molmil-images/mine/8am2) | Human butyrylcholinesterase in complex with 2,2'-(((1E,1'E)-(2-phenylpyrimidine-4,6-diyl)bis(methaneylylidene))bis(hydrazin-1-yl-2-ylidene))bis(N,N,N-trimethyl-2-oxoethan-1-aminium) | 分子名称: | 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, CHLORIDE ION, ... | 著者 | Nachon, F, Brazzolotto, X, Dias, J. | 登録日 | 2022-08-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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8AM1
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![BU of 8am1 by Molmil](/molmil-images/mine/8am1) | Human butyrylcholinesterase in complex with zinc and N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium | 分子名称: | 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, AMMONIUM ION, ... | 著者 | Nachon, F, Brazzolotto, X, Dias, J. | 登録日 | 2022-08-02 | 公開日 | 2023-06-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | 主引用文献 | Grid-Type Quaternary Metallosupramolecular Compounds Inhibit Human Cholinesterases through Dynamic Multivalent Interactions. Chembiochem, 23, 2022
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8AM0
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![BU of 8am0 by Molmil](/molmil-images/mine/8am0) | Crystal structure of human T1061E PI3Kalpha in complex with its regulatory subunit and the inhibitor GDC-0077 (Inavolisib) | 分子名称: | (2R)-2-[[2-[(4S)-4-[bis(fluoranyl)methyl]-2-oxidanylidene-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Goncalves, M, Johnson, J.L, Roewer, K.M. | 登録日 | 2022-08-02 | 公開日 | 2023-12-13 | 最終更新日 | 2024-01-03 | 実験手法 | X-RAY DIFFRACTION (2.818 Å) | 主引用文献 | Epinephrine inhibits PI3K alpha via the Hippo kinases. Cell Rep, 42, 2023
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8ALX
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![BU of 8alx by Molmil](/molmil-images/mine/8alx) | Structure of human PD-L1 in complex with inhibitor | 分子名称: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | 著者 | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | 登録日 | 2022-08-01 | 公開日 | 2023-08-16 | 最終更新日 | 2024-07-10 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies. Mol Cancer, 22, 2023
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8ALS
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8ALO
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![BU of 8alo by Molmil](/molmil-images/mine/8alo) | Heterodimer formation of sensory domains of Vibrio cholerae regulators ToxR and ToxS | 分子名称: | Cholera toxin transcriptional activator, Transmembrane regulatory protein ToxS | 著者 | Gubensaek, N, Sagmeister, T, Pavkov-Keller, T, Zangger, K, Buhlheller, C, Wagner, G.E. | 登録日 | 2022-08-01 | 公開日 | 2023-09-13 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.002 Å) | 主引用文献 | Vibrio cholerae's ToxRS bile sensing system. Elife, 12, 2023
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8ALN
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![BU of 8aln by Molmil](/molmil-images/mine/8aln) | CO-bound [FeFe]-hydrogenase I from Clostridium pasteurianum (CpI) at 1.34 Angstrom | 分子名称: | Binuclear [FeFe], di(thiomethyl)amine, carbon monoxide, ... | 著者 | Duan, J, Hofmann, E, Happe, T. | 登録日 | 2022-08-01 | 公開日 | 2022-12-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | 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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8ALM
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![BU of 8alm by Molmil](/molmil-images/mine/8alm) | |
8ALL
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![BU of 8all by Molmil](/molmil-images/mine/8all) | NMR structure of holo-acp | 分子名称: | 4'-PHOSPHOPANTETHEINE, Hybrid non ribosomal peptide synthetase-polyketide synthase | 著者 | Collin, S, Weissman, K.J, Chagot, B, Gruez, A. | 登録日 | 2022-08-01 | 公開日 | 2023-03-22 | 最終更新日 | 2023-03-29 | 実験手法 | SOLUTION NMR | 主引用文献 | 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 | 分子名称: | 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 | 著者 | Troilo, F, Scafati, V, Giovannoni, M, Mattei, B, Benedetti, M, Angelucci, F, Di Matteo, A. | 登録日 | 2022-07-30 | 公開日 | 2022-12-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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) | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2022-07-29 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | 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) | 分子名称: | (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, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2022-07-29 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | 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) | 分子名称: | (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, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2022-07-29 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | 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) | 分子名称: | 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, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2022-07-29 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | 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) | 分子名称: | (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, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2022-07-29 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 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 | 分子名称: | Beta-lactamase family protein, GLYCEROL, L(+)-TARTARIC ACID, ... | 著者 | Ravaud, S, Nikolopoulos, N, Grangeasse, C. | 登録日 | 2022-07-29 | 公開日 | 2023-04-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 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) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Obscurin | 著者 | Dorendorf, T, Zacharchenko, T, Mayans, O. | 登録日 | 2022-07-29 | 公開日 | 2023-03-29 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | 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 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ... | 著者 | 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. | 登録日 | 2022-07-29 | 公開日 | 2023-08-16 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | 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 | 分子名称: | CALCIUM ION, Cell-wall anchoring protein, Dockerin from ScaH, ... | 著者 | Alves, V.D, Bule, P, Fontes, C.M.G.A, Carvalho, A.L.M, Najmudin, S, Duarte, M. | 登録日 | 2022-07-28 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | 主引用文献 | 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 | 分子名称: | Adenosylhomocysteinase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | 登録日 | 2022-07-28 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 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 | 分子名称: | ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ... | 著者 | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | 登録日 | 2022-07-28 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.645 Å) | 主引用文献 | 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 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | 著者 | Drozdzal, P, Wozniak, K, Malecki, P, Gawel, M, Komorowska, M, Brzezinski, K. | 登録日 | 2022-07-28 | 公開日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.499 Å) | 主引用文献 | 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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