タイトル | Tautomer-Specific Deacylation and Omega-Loop Flexibility Explain the Carbapenem-Hydrolyzing Broad-Spectrum Activity of the KPC-2 beta-Lactamase. |
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ジャーナル・号・ページ | J. Am. Chem. Soc., Vol. 145, Page 7166-7180, Year 2023 |
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掲載日 | 2022年7月29日 (構造データの登録日) |
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著者 | Tooke, C.L. / Hinchliffe, P. / Beer, M. / Zinovjev, K. / Colenso, C.K. / Schofield, C.J. / Mulholland, A.J. / Spencer, J. |
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リンク | J. Am. Chem. Soc. / PubMed:36972204 |
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手法 | X線回折 |
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解像度 | 1.25 - 1.4 Å |
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構造データ | PDB-8aki: Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q) 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-8akj: Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q) 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-8akk: Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q) 手法: X-RAY DIFFRACTION / 解像度: 1.36 Å PDB-8akl: Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q) 手法: X-RAY DIFFRACTION / 解像度: 1.35 Å PDB-8akm: Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q) 手法: X-RAY DIFFRACTION / 解像度: 1.25 Å |
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化合物 | ChemComp-AIX: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
ChemComp-CEO: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
ChemComp-HIW: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca
ChemComp-O2F: (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
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由来 | - klebsiella pneumoniae (肺炎桿菌)
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キーワード | ANTIMICROBIAL PROTEIN / acyl-enzyme complex / antibiotic resistance / beta-lactamase / antibiotic / ligand |
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