6Z25
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![BU of 6z25 by Molmil](/molmil-images/mine/6z25) | Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-4 (E166Q) | 分子名称: | ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCEROL, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2020-05-14 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance. J.Biol.Chem., 296, 2020
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6Z23
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![BU of 6z23 by Molmil](/molmil-images/mine/6z23) | Acylenzyme complex of cefotaxime bound to deacylation mutant KPC-2 (E166Q) | 分子名称: | CEFOTAXIME, C3' cleaved, open, ... | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | 登録日 | 2020-05-14 | 公開日 | 2020-12-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Natural variants modify Klebsiella pneumoniae carbapenemase (KPC) acyl-enzyme conformational dynamics to extend antibiotic resistance. J.Biol.Chem., 296, 2020
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6Z22
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![BU of 6z22 by Molmil](/molmil-images/mine/6z22) | |
6Z24
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![BU of 6z24 by Molmil](/molmil-images/mine/6z24) | |
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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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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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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6ZAA
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![BU of 6zaa by Molmil](/molmil-images/mine/6zaa) | PI3K Delta in complex with methoxy(methylsulfamoyl)pyridinylN(methylpiperidinyl)dihydrobenzoxazinecarboxamide | 分子名称: | 4-[6-methoxy-5-(methylsulfamoyl)pyridin-3-yl]-~{N}-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | 登録日 | 2020-06-05 | 公開日 | 2020-07-15 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6ZAC
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![BU of 6zac by Molmil](/molmil-images/mine/6zac) | PI3K Delta in complex with [(dimethylamino)methyldihydrobenzoxazin2methoxypyridinyl]methanesulfonamide | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[5-[6-[(dimethylamino)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-methoxy-pyridin-3-yl]methanesulfonamide | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | 登録日 | 2020-06-05 | 公開日 | 2020-07-01 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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6ZAD
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![BU of 6zad by Molmil](/molmil-images/mine/6zad) | PI3K Delta in complex with methoxymethyloxathiatetraazatetracyclodocosahexaenedione | 分子名称: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, methoxymethyloxathiatetraazatetracyclodocosahexaenedione | 著者 | Convery, M.A, Hardy, C.J, Spencer, J.A, Rowland, P. | 登録日 | 2020-06-05 | 公開日 | 2020-07-29 | 最終更新日 | 2021-09-29 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase delta. Acs Med.Chem.Lett., 11, 2020
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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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7ZO2
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![BU of 7zo2 by Molmil](/molmil-images/mine/7zo2) | L1 metallo-beta-lactamase complex with hydrolysed doripenem | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, CHLORIDE ION, Metallo-beta-lactamase L1, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO4
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![BU of 7zo4 by Molmil](/molmil-images/mine/7zo4) | L1 metallo-beta-lactamase in complex with hydrolysed panipenem | 分子名称: | (2R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]sulfanyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SODIUM ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO6
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![BU of 7zo6 by Molmil](/molmil-images/mine/7zo6) | L1 metallo-beta-lactamase in complex with hydrolysed cefoxitin | 分子名称: | (2~{R},5~{S})-5-(aminocarbonyloxymethyl)-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-5,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO5
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![BU of 7zo5 by Molmil](/molmil-images/mine/7zo5) | L1 metallo-beta-lactamase in complex with a mecillinam degradation product | 分子名称: | (2~{R},4~{S})-2-[(1~{R})-2-(azepan-1-yl)-1-formamido-2-oxidanylidene-ethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO7
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![BU of 7zo7 by Molmil](/molmil-images/mine/7zo7) | L1 metallo-beta-lactamase in complex with hydrolysed cefmetazole | 分子名称: | (2R,5R)-2-[(1S)-1-[2-(cyanomethylsulfanyl)ethanoylamino]-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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7ZO3
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![BU of 7zo3 by Molmil](/molmil-images/mine/7zo3) | L1 metallo-beta-lactamase in complex with hydrolysed tebipenem | 分子名称: | (2S,3R,4S)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | 著者 | Hinchliffe, P, Spencer, J. | 登録日 | 2022-04-24 | 公開日 | 2023-03-08 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Interactions of hydrolyzed beta-lactams with the L1 metallo-beta-lactamase: Crystallography supports stereoselective binding of cephem/carbapenem products. J.Biol.Chem., 299, 2023
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1SML
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![BU of 1sml by Molmil](/molmil-images/mine/1sml) | METALLO BETA LACTAMASE L1 FROM STENOTROPHOMONAS MALTOPHILIA | 分子名称: | PROTEIN (PENICILLINASE), ZINC ION | 著者 | Ullah, J.H, Walsh, T.R, Taylor, I.A, Emery, D.C, Verma, C.S, Gamblin, S.J, Spencer, J. | 登録日 | 1998-09-22 | 公開日 | 1999-09-20 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution. J.Mol.Biol., 284, 1998
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1XES
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![BU of 1xes by Molmil](/molmil-images/mine/1xes) | Crystal structure of stilbene synthase from Pinus sylvestris | 分子名称: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase | 著者 | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | 登録日 | 2004-09-12 | 公開日 | 2006-04-11 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Crystal structure of stilbene synthase from Pinus sylvestris To be Published
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1KQ7
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![BU of 1kq7 by Molmil](/molmil-images/mine/1kq7) | E315Q Mutant Form of Fumarase C from E.coli | 分子名称: | CITRIC ACID, D-MALATE, FUMARATE HYDRATASE CLASS II | 著者 | Weaver, T.M, Estevez, M, Skarda, J, Spencer, J. | 登録日 | 2002-01-04 | 公開日 | 2002-08-23 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | X-ray crystallographic and kinetic correlation of a clinically observed human fumarase mutation. Protein Sci., 11, 2002
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1XET
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![BU of 1xet by Molmil](/molmil-images/mine/1xet) | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA | 分子名称: | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase, METHYLMALONYL-COENZYME A | 著者 | Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L. | 登録日 | 2004-09-12 | 公開日 | 2006-04-11 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of stilbene synthase from Pinus sylvestris, complexed with methylmalonyl CoA To be Published
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1RQR
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![BU of 1rqr by Molmil](/molmil-images/mine/1rqr) | Crystal structure and mechanism of a bacterial fluorinating enzyme, product complex | 分子名称: | 5'-FLUORO-5'-DEOXYADENOSINE, 5'-fluoro-5'-deoxyadenosine synthase, METHIONINE | 著者 | Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H. | 登録日 | 2003-12-07 | 公開日 | 2004-03-02 | 最終更新日 | 2022-06-15 | 実験手法 | X-RAY DIFFRACTION (2.67 Å) | 主引用文献 | Crystal structure and mechanism of a bacterial fluorinating enzyme Nature, 427, 2004
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6FZ6
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![BU of 6fz6 by Molmil](/molmil-images/mine/6fz6) | |
1RQP
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![BU of 1rqp by Molmil](/molmil-images/mine/1rqp) | Crystal structure and mechanism of a bacterial fluorinating enzyme | 分子名称: | 5'-fluoro-5'-deoxyadenosine synthase, S-ADENOSYLMETHIONINE | 著者 | Dong, C, Huang, F, Deng, H, Schaffrath, C, Spencer, J.B, O'Hagan, D, Naismith, J.H. | 登録日 | 2003-12-06 | 公開日 | 2004-03-02 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal structure and mechanism of a bacterial fluorinating enzyme Nature, 427, 2004
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