Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 340 件
3KV8
DownloadVisualize
BU of 3kv8 by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - Wild type FlK in complex with fluoro-acetate
分子名称: Fluoroacetyl-CoA thioesterase FlK, fluoroacetic acid
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-29
公開日2010-04-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
3KX7
DownloadVisualize
BU of 3kx7 by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA FlK - apo wild type FlK
分子名称: Fluoroacetyl-CoA thioesterase FlK
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-12-02
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
6RMF
DownloadVisualize
BU of 6rmf by Molmil
Crystal structure of NDM-1 with VNRX-5133
分子名称: (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide, (4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid, Metallo-beta-lactamase type 2, ...
著者Hinchliffe, P, Spencer, J, Brem, J, Schofield, C.J.
登録日2019-05-06
公開日2019-09-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
5G4O
DownloadVisualize
BU of 5g4o by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a trifluorinated derivative of the small molecule stabilizer Phikan083
分子名称: CELLULAR TUMOR ANTIGEN P53, N,N-dimethyl-1-[9-(2,2,2-trifluoroethyl)-9H-carbazol-3-yl]methanamine, ZINC ION
著者Joerger, A.C, Bauer, M, Baud, M.G.J, Spencer, J.
登録日2016-05-13
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
5HH6
DownloadVisualize
BU of 5hh6 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 in complex with a phosphonate-based inhibitor
分子名称: 6-[(~{S})-oxidanyl(phosphono)methyl]pyridine-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
4A22
DownloadVisualize
BU of 4a22 by Molmil
Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to N-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate
分子名称: 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate, FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, ...
著者Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J.
登録日2011-09-21
公開日2011-10-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Glycolytic and non-glycolytic functions of Mycobacterium tuberculosis fructose-1,6-bisphosphate aldolase, an essential enzyme produced by replicating and non-replicating bacilli.
J. Biol. Chem., 286, 2011
5HH5
DownloadVisualize
BU of 5hh5 by Molmil
Crystal structure of B3 metallo-beta-lactamase L1 complexed with a phosphonate-based inhibitor
分子名称: 6-(phosphonomethyl)pyridine-2-carboxylic acid, GLYCEROL, Metallo-beta-lactamase L1, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
4ZEJ
DownloadVisualize
BU of 4zej by Molmil
Crystal Structure of DIM-1 Metallo-beta-Lactamase exposed to Ceftazidime
分子名称: CHLORIDE ION, Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2015-04-20
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Stricture of DIM-1 Metallo-beta-Lactamase
To Be Published
5ACT
DownloadVisualize
BU of 5act by Molmil
W228S-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: GIM-1 PROTEIN, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
6TD1
DownloadVisualize
BU of 6td1 by Molmil
Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2
分子名称: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
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2024-10-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
6ZYN
DownloadVisualize
BU of 6zyn by Molmil
Structure of VIM-2 with 2-Mercaptomethyl-thiazolidine L-anti-1b
分子名称: (2~{S},4~{R})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Beta-lactamase VIM-2, FORMIC ACID, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4000138 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
5ACQ
DownloadVisualize
BU of 5acq by Molmil
W228A-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: BETA-LACTAMASE, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5LS3
DownloadVisualize
BU of 5ls3 by Molmil
Crystal structure of metallo-beta-lactamase SPM-1 with Y58C mutation
分子名称: Beta-lactamase IMP-1, ZINC ION
著者Hinchliffe, P, Spencer, J.
登録日2016-08-22
公開日2017-03-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献(19) F-NMR Reveals the Role of Mobile Loops in Product and Inhibitor Binding by the Sao Paulo Metallo-beta-Lactamase.
Angew. Chem. Int. Ed. Engl., 56, 2017
5HH4
DownloadVisualize
BU of 5hh4 by Molmil
Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor
分子名称: 1,2-ETHANEDIOL, 6-(phosphonomethyl)pyridine-2-carboxylic acid, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2016-01-09
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Kinetic Studies of the Potent Inhibition of Metallo-beta-lactamases by 6-Phosphonomethylpyridine-2-carboxylates.
Biochemistry, 57, 2018
6ZYS
DownloadVisualize
BU of 6zys by Molmil
Structure of IMP-1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase IMP-1, ...
著者Hinchliffe, P, Spencer, J.
登録日2020-08-02
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.87000954 Å)
主引用文献2-Mercaptomethyl-thiazolidines use conserved aromatic-S interactions to achieve broad-range inhibition of metallo-beta-lactamases.
Chem Sci, 12, 2021
7BJ9
DownloadVisualize
BU of 7bj9 by Molmil
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
7BJ8
DownloadVisualize
BU of 7bj8 by Molmil
Structure of L1 with 2-Mercaptomethyl-thiazolidine D-syn-1b
分子名称: (2~{S},4~{S})-2-ethoxycarbonyl-5,5-dimethyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-01-14
公開日2021-09-15
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 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
3KUV
DownloadVisualize
BU of 3kuv by Molmil
Structural basis of the activity and substrate specificity of the fluoroacetyl-CoA thioesterase FlK - T42S mutant in complex with acetate.
分子名称: ACETATE ION, Fluoroacetyl coenzyme A thioesterase
著者Dias, M.V.B, Huang, F, Chirgadze, D.Y, Tosin, M, Spiteller, D, Valentine, E.F, Leadlay, P.F, Spencer, J.B, Blundell, T.L.
登録日2009-11-27
公開日2010-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis for the activity and substrate specificity of fluoroacetyl-CoA thioesterase FlK.
J.Biol.Chem., 285, 2010
7BDS
DownloadVisualize
BU of 7bds by Molmil
Structure of CTX-M-15 crystallised in the presence of tazobactam
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-12-22
公開日2022-01-12
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
7BDR
DownloadVisualize
BU of 7bdr by Molmil
Structure of CTX-M-15 E166Q mutant crystallised in the presence of tazobactam (AAI101)
分子名称: Beta-lactamase, CHLORIDE ION, SODIUM ION, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2020-12-22
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Penicillanic Acid Sulfones Inactivate the Extended-Spectrum beta-Lactamase CTX-M-15 through Formation of a Serine-Lysine Cross-Link: an Alternative Mechanism of beta-Lactamase Inhibition.
Mbio, 13, 2022
5ACR
DownloadVisualize
BU of 5acr by Molmil
W228Y-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: CALCIUM ION, GIM-1 PROTEIN, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
5IQK
DownloadVisualize
BU of 5iqk by Molmil
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2024-10-16
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
5ACP
DownloadVisualize
BU of 5acp by Molmil
W228R-Investigation of the impact from residues W228 and Y233 in the metallo-beta-lactamase GIM-1
分子名称: GIM-1 PROTEIN, MAGNESIUM ION, ZINC ION
著者Skagseth, S, Carlsen, T.J, Bjerga, G.E.K, Spencer, J, Samuelsen, O, Leiros, H.-K.S.
登録日2015-08-17
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Role of Residues W228 and Y233 in the Structure and Activity of Metallo-Beta-Lactamase Gim-1.
Antimicrob.Agents Chemother., 60, 2015
4A21
DownloadVisualize
BU of 4a21 by Molmil
Structure of Mycobacterium tuberculosis fructose 1,6-bisphosphate aldolase bound to sulfate
分子名称: FRUCTOSE-BISPHOSPHATE ALDOLASE, SODIUM ION, SULFATE ION
著者Coincon, M, De la Paz Santangelo, M, Gest, P.M, Guerin, M.E, Pham, H, Ryan, G, Puckett, S.E, Spencer, J.S, Gonzalez-Juarrero, M, Daher, R, Lenaerts, A.J, Schnappinger, D, Therisod, M, Ehrt, S, Jackson, M, Sygusch, J.
登録日2011-09-21
公開日2011-10-05
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Glycolytic and Non-Glycolytic Functions of the Fructose-1,6-Bisphosphate Aldolase of Mycobacterium Tuberculosis, an Essential Enzyme Produced by Replicating and Non-Replicating Bacilli
J.Biol.Chem., 286, 2011
2Y8B
DownloadVisualize
BU of 2y8b by Molmil
VIM-7 with Oxidised. Structural and computational investigations of VIM-7: Insights into the substrate specificity of VIM metallo-beta- lactamases
分子名称: METALLO-B-LACTAMASE, ZINC ION
著者Saradhi, P, Leiros, H.-K.S, Ahmad, R, Spencer, J, Leiros, I, Walsh, T.R, Sundsfjord, A, Samuelsen, O.
登録日2011-02-03
公開日2011-06-15
最終更新日2011-08-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and Computational Investigations of Vim- 7: Insights Into the Substrate Specificity of Vim Metallo-Beta-Lactamases
J.Mol.Biol., 411, 2011

226707

件を2024-10-30に公開中

PDB statisticsPDBj update infoContact PDBjnumon