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PDB: 211 件

4UA4
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Structure of the VIM-2 Metallo-beta-Lactamase in Complex with a Bisthiazolidine Inhibitor
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ...
著者Spencer, J.
登録日2014-08-08
公開日2014-09-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure of the VIM-2 Metallo-beta-Lactamase in Complex with a Bisthiazolidine Inhibitor
To Be Published
2QIN
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Stenotrophomonas maltophilia L1 Metallo-beta-Lactamase Asp-120 Cys mutant
分子名称: MAGNESIUM ION, Metallo-beta-lactamase L1, ZINC ION
著者Spencer, J.
登録日2007-07-05
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases.
Biochemistry, 46, 2007
2AIO
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Metallo beta lactamase L1 from Stenotrophomonas maltophilia complexed with hydrolyzed moxalactam
分子名称: (2R)-2-((R)-CARBOXY{[CARBOXY(4-HYDROXYPHENYL)ACETYL]AMINO}METHOXYMETHYL)-5-METHYLENE-5,6-DIHYDRO-2H-1,3-OXAZINE-4-CARBO XYLIC ACID, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Spencer, J, Read, J, Sessions, R.B, Howell, S, Blackburn, G.M, Gamblin, S.J.
登録日2005-07-30
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Antibiotic Recognition by Binuclear Metallo-beta-Lactamases Revealed by X-ray Crystallography
J.Am.Chem.Soc., 127, 2005
3IT5
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BU of 3it5 by Molmil
Crystal Structure of the LasA Virulence Factor from Pseudomonas aeruginosa
分子名称: Protease lasA, ZINC ION
著者Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J.
登録日2009-08-27
公開日2009-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases.
J.Mol.Biol., 396, 2010
3IT7
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Crystal Structure of the LasA virulence factor from Pseudomonas aeruginosa
分子名称: GLYCEROL, L(+)-TARTARIC ACID, Protease lasA, ...
著者Spencer, J, Murphy, L.M, Conners, R, Sessions, R.B, Gamblin, S.J.
登録日2009-08-27
公開日2009-11-17
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of the LasA virulence factor from Pseudomonas aeruginosa: substrate specificity and mechanism of M23 metallopeptidases.
J.Mol.Biol., 396, 2010
5EV6
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BU of 5ev6 by Molmil
Crystal structure of the native, di-zinc metallo-beta-lactamase IMP-1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase IMP-1, ...
著者Spencer, J, Hinchliffe, P.
登録日2015-11-19
公開日2016-06-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
1KQ7
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BU of 1kq7 by Molmil
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
4WD6
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Crystal Structure of DIM-1 metallo-beta-lactamase
分子名称: Metallo-beta-lactamase, ZINC ION
著者Booth, M.P.S, Kosmopoulou, M, Spencer, J.
登録日2014-09-07
公開日2014-09-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of DIM-1 metallo-beta-lactamase
To Be Published
7O0O
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BU of 7o0o by Molmil
Crystal structure of the B3 metallo-beta-lactamase L1 with hydrolysed ertapenem
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-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2021-03-26
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallography and QM/MM Simulations Identify Preferential Binding of Hydrolyzed Carbapenem and Penem Antibiotics to the L1 Metallo-beta-Lactamase in the Imine Form.
J.Chem.Inf.Model., 61, 2021
8R5U
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BU of 8r5u by Molmil
VIM-2 metallo-beta-lactamase in complex with benzebisheterocycle compound 14
分子名称: Beta-lactamase VIM-2, FORMIC ACID, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
8R5T
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Crystal structure of NDM-1 in complex with benzobisheterocycle compound 14.
分子名称: Metallo-beta-lactamase type 2, SULFATE ION, ZINC ION, ...
著者Hinchliffe, P, Spencer, J.
登録日2023-11-17
公開日2024-04-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Rational Design of Benzobisheterocycle Metallo-beta-Lactamase Inhibitors: A Tricyclic Scaffold Enhances Potency against Target Enzymes.
J.Med.Chem., 67, 2024
4U4L
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BU of 4u4l by Molmil
Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
分子名称: (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase NDM-1, GLYCEROL, ...
著者Kosmopoulou, M, Hinchliffe, P, Spencer, J.
登録日2014-07-23
公開日2014-08-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
To Be Published
2QJS
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BU of 2qjs by Molmil
Stenotrophomonas maltophilia L1 metallo-beta-lactamase Asp-120 Asn mutant
分子名称: Metallo-beta-lactamase L1, ZINC ION
著者Crisp, J, Conners, R, Spencer, J.
登録日2007-07-09
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Basis for the Role of Asp-120 in Metallo-beta-lactamases
Biochemistry, 46, 2007
5ENF
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BU of 5enf by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
著者Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
6FZ6
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BU of 6fz6 by Molmil
Crystal Structure of a radical SAM methyltransferase from Sphaerobacter thermophilus
分子名称: BROMIDE ION, GLYCEROL, IRON/SULFUR CLUSTER, ...
著者Hinchliffe, P, Shaw, J.M, Spencer, J.
登録日2018-03-14
公開日2019-04-10
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal Structure of a radical SAM methyltransferase from Sphaerobacter thermophilus
To Be Published
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
分子名称: Beta-lactamase, ZINC ION
著者Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
登録日2011-06-08
公開日2011-07-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
7QQC
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BU of 7qqc by Molmil
Structure of CTX-M-15 K73A mutant
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-01-07
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.95 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
7QQ5
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BU of 7qq5 by Molmil
Structure of CTX-M-15 K73A mutant crystallised in the presence of enmetazobactam (AAI101)
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-01-06
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.95 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
7R3R
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BU of 7r3r by Molmil
Crystal structure of CTX-M-15 G238C mutant apoenzyme
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-02-07
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.17 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
7R3Q
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BU of 7r3q by Molmil
Crystal structure of CTX-M-15 G238C/A240 insert mutant apoenzyme
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2022-02-07
公開日2022-05-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 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
2Y8B
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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
6QWB
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BU of 6qwb by Molmil
Crystal structure of KPC-4 complexed with relebactam (16 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, (2~{S})-5-azanylidene-2-(piperidin-4-ylcarbamoyl)piperidine-1-carboxylic acid, Beta-lactamase, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.04 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWD
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Crystal structure of KPC-3
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QW8
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Crystal structure of CTX-M-15 complexed with relebactam (16 hour soak)
分子名称: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWE
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Crystal structure of KPC-4
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
著者Tooke, C.L, Hinchliffe, P, Spencer, J.
登録日2019-03-05
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019

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