6Z24
 
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6Z21
 | | Crystal structure of deacylation mutant KPC-2 (E166Q) | | 分子名称: | CHLORIDE ION, Carbapenem-hydrolyzing beta-lactamase KPC, 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 (1.3 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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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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6Z22
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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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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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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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7BJ9
 | | Structure of Sfh-I with 2-Mercaptomethyl-thiazolidine L-anti-1a | | 分子名称: | (2~{S},4~{R})-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase, GLYCEROL, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2021-01-14 | | 公開日 | 2021-08-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.21000588 Å) | | 主引用文献 | 2-Mercaptomethyl Thiazolidines (MMTZs) Inhibit All Metallo-beta-Lactamase Classes by Maintaining a Conserved Binding Mode.
Acs Infect Dis., 7, 2021
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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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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
 | | 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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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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5NE3
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5K2A
 | | 2.5 angstrom A2a adenosine receptor structure with sulfur SAD phasing using XFEL data | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a/Soluble cytochrome b562 chimera, ... | | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2016-05-18 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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5K2B
 | | 2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2016-05-18 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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5K2D
 | | 1.9A angstrom A2a adenosine receptor structure with MR phasing using XFEL data | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ... | | 著者 | Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR) | | 登録日 | 2016-05-18 | | 公開日 | 2016-09-21 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
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5IQK
 | | Rm3 metallo-beta-lactamase | | 分子名称: | ZINC ION, beta-lactamase Rm3 | | 著者 | Salimraj, R, Spencer, J. | | 登録日 | 2016-03-10 | | 公開日 | 2016-03-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
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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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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 | 2024-06-19 | | 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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5LS3
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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 | 2024-06-19 | | 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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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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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 | 2024-06-19 | | 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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6TD0
 | | Crystal structure of vaborbactam bound to KPC-2 | | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ... | | 著者 | Tooke, C.L, Hinchliffe, P, Spencer, J. | | 登録日 | 2019-11-07 | | 公開日 | 2020-01-22 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | | 主引用文献 | Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
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6FZ6
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