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6QW7
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BU of 6qw7 by Molmil
Crystal structure of L2 complexed with relebactam (16 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, D-SERINE
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QW9
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BU of 6qw9 by Molmil
Crystal structure of KPC-2 complexed with relebactam (16 hour soak)
Descriptor: (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, Carbapenem-hydrolyzing beta-lactamase KPC, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6QWC
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BU of 6qwc by Molmil
Crystal structure of KPC-4 complexed with relebactam (1 hour soak)
Descriptor: (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-03-05
Release date:2019-08-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular Basis of Class A beta-Lactamase Inhibition by Relebactam.
Antimicrob.Agents Chemother., 63, 2019
6TD1
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BU of 6td1 by Molmil
Crystal structure of VNRX-5133 (taniborbactam) bound to KPC-2
Descriptor: (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, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-11-07
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
6TD0
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BU of 6td0 by Molmil
Crystal structure of vaborbactam bound to KPC-2
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, SULFATE ION, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2019-11-07
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Cyclic boronates as versatile scaffolds for KPC-2 beta-lactamase inhibition.
Rsc Med Chem, 11, 2020
7A61
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BU of 7a61 by Molmil
Crystal structure of KPC-2 with hydrolyzed faropenem (ring-open form)
Descriptor: (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-butyl-2,3-dihydro-1,3-thiazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
8AKM
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BU of 8akm by Molmil
Acyl-enzyme complex of ertapenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: Carbapenem-hydrolyzing beta-lactamase KPC, Ertapenem, GLYCEROL, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
8AKL
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BU of 8akl by Molmil
Acyl-enzyme complex of meropenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (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, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
8AKJ
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BU of 8akj by Molmil
Acyl-enzyme complex of cephalothin bound to deacylation mutant KPC-2 (E166Q)
Descriptor: 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, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
8AKI
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BU of 8aki by Molmil
Acyl-enzyme complex of ampicillin bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (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, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
8AKK
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BU of 8akk by Molmil
Acyl-enzyme complex of imipenem bound to deacylation mutant KPC-2 (E166Q)
Descriptor: (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, ...
Authors:Tooke, C.L, Hinchliffe, P, Spencer, J.
Deposit date:2022-07-29
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.36 Å)
Cite: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
5N5H
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BU of 5n5h by Molmil
Crystal structure of metallo-beta-lactamase VIM-1 in complex with ML302F inhibitor
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, Beta-lactamase VIM-1, ZINC ION
Authors:Salimraj, R, Hinchliffe, P, Spencer, J.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5N5I
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BU of 5n5i by Molmil
Crystal Structure of VIM-1 metallo-beta-lactamase in complex with hydrolysed meropenem
Descriptor: (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
Authors:Salimraj, R, Hinchliffe, P, Spencer, J.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
5N5G
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BU of 5n5g by Molmil
Crystal structure of di-zinc metallo-beta-lactamase VIM-1
Descriptor: BICINE, Beta-lactamase VIM-1, ZINC ION
Authors:Salimraj, R, Hinchliffe, P, Spencer, J.
Deposit date:2017-02-14
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.292 Å)
Cite:Crystal structures of VIM-1 complexes explain active site heterogeneity in VIM-class metallo-beta-lactamases.
FEBS J., 286, 2019
4NQ6
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BU of 4nq6 by Molmil
Bacillus cereus Zn-dependent metallo-beta-lactamase at pH 7 complexed with compound L-CS319
Descriptor: (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase 2, POTASSIUM ION, ...
Authors:Gonzalez, J.M, Gonzalez, M.M, Vila, A.J.
Deposit date:2013-11-23
Release date:2014-11-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
2XMN
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BU of 2xmn by Molmil
High resolution snapshots of defined TolC open states present an iris- like movement of periplasmic entrance helices
Descriptor: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Outer membrane protein TolC
Authors:Pei, X.Y, Koronakis, E, Hughes, C, Koronakis, V.
Deposit date:2010-07-28
Release date:2011-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of sequential open states in a symmetrical opening transition of the TolC exit duct.
Proc. Natl. Acad. Sci. U.S.A., 108, 2011
5IQK
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BU of 5iqk by Molmil
Rm3 metallo-beta-lactamase
Descriptor: ZINC ION, beta-lactamase Rm3
Authors:Salimraj, R, Spencer, J.
Deposit date:2016-03-10
Release date:2016-03-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
7BHN
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BU of 7bhn by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 2 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHM
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BU of 7bhm by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.7 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHK
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BU of 7bhk by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BHL
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BU of 7bhl by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.2 s mixing with N-acetyl-D-glucosamine.
Descriptor: CHLORIDE ION, Lysozyme, SODIUM ION
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
6RTN
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BU of 6rtn by Molmil
Crystal structure of OXA-10 with VNRX-5133
Descriptor: (3~{R})-3-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase OXA-10, CHLORIDE ION
Authors:Brem, J, Schofield, C.
Deposit date:2019-05-24
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Bicyclic Boronate VNRX-5133 Inhibits Metallo- and Serine-beta-Lactamases.
J.Med.Chem., 62, 2019
7A5Z
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BU of 7a5z by Molmil
Structure of VIM-2 metallo-beta-lactamase with hydrolysed Faropenem imine product
Descriptor: (5~{Z})-2-[1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-5-(4-oxidanylbutylidene)-2~{H}-1,3-thiazole-4-carboxylic acid, Beta-lactamase VIM-2, CHLORIDE ION, ...
Authors:Lucic, A, Schofield, C.J.
Deposit date:2020-08-24
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Faropenem reacts with serine and metallo-beta-lactamases to give multiple products.
Eur.J.Med.Chem., 215, 2021
8PJM
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BU of 8pjm by Molmil
Metallo beta-lactamase VIM2 with compound AK110
Descriptor: Beta-lactamase VIM-2, CHLORIDE ION, SODIUM ION, ...
Authors:Lucic, A, Hinchliffe, P, Schofield, C.
Deposit date:2023-06-23
Release date:2023-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Metallo beta-lactamase VIM2 with compound AK110
To Be Published
3I9V
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BU of 3i9v by Molmil
Crystal structure of the hydrophilic domain of respiratory complex I from Thermus thermophilus, oxidized, 2 mol/ASU
Descriptor: CALCIUM ION, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Sazanov, L.A, Berrisford, J.M.
Deposit date:2009-07-13
Release date:2009-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the mechanism of respiratory complex I
J.Biol.Chem., 284, 2009

221051

数据于2024-06-12公开中

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