5N5I
 
 | | Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem | | 分子名称: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Salimraj, R, Hinchliffe, P, Spencer, J. | | 登録日 | 2017-02-14 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
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5N5G
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5NDE
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5NE1
 | | L2 class A serine-beta-lactamase in complex with cyclic boronate 2 | | 分子名称: | (4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Beta-lactamase, TRIETHYLENE GLYCOL | | 著者 | Hinchliffe, P, Calvopina, K, Spencer, J. | | 登録日 | 2017-03-09 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural/mechanistic insights into the efficacy of nonclassical beta-lactamase inhibitors against extensively drug resistant Stenotrophomonas maltophilia clinical isolates.
Mol. Microbiol., 106, 2017
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5NDB
 | | Crystal structure of metallo-beta-lactamase SPM-1 complexed with cyclobutanone inhibitor | | 分子名称: | (1~{S},4~{R},5~{S})-7,7-bis(chloranyl)-6,6-bis(oxidanyl)-2$l^{4}-thiabicyclo[3.2.0]hept-2-ene-4-carboxylic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase IMP-1, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2017-03-08 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Cyclobutanone Mimics of Intermediates in Metallo-beta-Lactamase Catalysis.
Chemistry, 24, 2018
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5NE3
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5LRM
 | | Structure of di-zinc MCR-1 in P41212 space group | | 分子名称: | GLYCEROL, ZINC ION, phosphatidylethanolamine transferase Mcr-1 | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2016-08-19 | | 公開日 | 2016-12-07 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Insights into the Mechanistic Basis of Plasmid-Mediated Colistin Resistance from Crystal Structures of the Catalytic Domain of MCR-1.
Sci Rep, 7, 2017
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5LRN
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7BH4
 | | XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico) | | 分子名称: | Beta-lactamase, SULFATE ION | | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | 登録日 | 2021-01-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BH7
 | | Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | | 分子名称: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | 登録日 | 2021-01-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BH5
 | | XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | | 分子名称: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | 登録日 | 2021-01-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BH3
 | | XFEL structure of CTX-M-15 resting state | | 分子名称: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | 登録日 | 2021-01-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BH6
 | | Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24 | | 分子名称: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | | 著者 | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | 登録日 | 2021-01-10 | | 公開日 | 2021-07-21 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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5S8R
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8S
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8Z
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8V
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.18 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8W
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8T
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8Y
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S95
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | 4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S8U
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | 4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S92
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S90
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | 4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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5S91
 | | PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative | | 分子名称: | 4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide, PH-interacting protein | | 著者 | Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. | | 登録日 | 2021-01-22 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
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