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6Z21
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BU of 6z21 by Molmil
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
6Z25
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BU of 6z25 by Molmil
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
6Z22
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BU of 6z22 by Molmil
Crystal structure of deacylation mutant KPC-4 (E166Q)
分子名称: Beta-lactamase, GLYCEROL, SULFATE ION
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 (1.4 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
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
分子名称: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
著者Tassoni, R, Pannu, N.S, Ubbink, M.
登録日2017-03-27
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
6Z23
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BU of 6z23 by Molmil
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
5NPO
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BU of 5npo by Molmil
Promiscuous Protein Self-Assembly as a Function of Protein Stability
分子名称: Beta-lactamase, Beta-lactamase TEM, MAGNESIUM ION
著者Cohen-Khait, R, Dym, O, Hamer-Rogotner, S, Schreiber, G.
登録日2017-04-18
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Promiscuous Protein Binding as a Function of Protein Stability.
Structure, 25, 2017
6Z24
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BU of 6z24 by Molmil
Acylenzyme complex of ceftazidime bound to deacylation mutant KPC-2 (E166Q)
分子名称: ACYLATED CEFTAZIDIME, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
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 (1.25 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
5OYO
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BU of 5oyo by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis
分子名称: ACETATE ION, Beta-lactamase, GLYCEROL, ...
著者Tassoni, R, Pannu, N.S.
登録日2017-09-11
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
2H0T
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BU of 2h0t by Molmil
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to clavulanic acid
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Broad-spectrum beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ...
著者van den Akker, F, Padayatti, P.S.
登録日2006-05-15
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2P74
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BU of 2p74 by Molmil
CTX-M-9 class A beta-lactamase apo crystal structure at 0.88 Angstrom resolution
分子名称: Beta-lactamase CTX-M-9a, PHOSPHATE ION, POTASSIUM ION
著者Chen, Y, Bonnet, R, Shoichet, B.K.
登録日2007-03-19
公開日2007-04-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (0.88 Å)
主引用文献The Acylation Mechanism of CTX-M beta-Lactamase at 0.88 A Resolution.
J.Am.Chem.Soc., 129, 2007
2H10
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BU of 2h10 by Molmil
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to tazobactam
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM INTERMEDIATE
著者van den Akker, F, Padayatti, P.S.
登録日2006-05-15
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2H0Y
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BU of 2h0y by Molmil
Crystal structure of the M69V E166A double mutant of SHV-1 b-lactamase complexed to sulbactam
分子名称: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ETHANESULFONIC ACID, ...
著者van den Akker, F, Padayatti, P.S.
登録日2006-05-15
公開日2007-01-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
2H5S
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BU of 2h5s by Molmil
SA2-13 penam sulfone complexed to wt SHV-1 beta-lactamase
分子名称: (3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SHV-1 beta-lactamase
著者van den Akker, F, Padayatti, P.S.
登録日2006-05-27
公開日2006-10-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Rational Design of a beta-Lactamase Inhibitor Achieved via Stabilization of the trans-Enamine Intermediate: 1.28 A Crystal Structure of wt SHV-1 Complex with a Penam Sulfone.
J.Am.Chem.Soc., 128, 2006
2OV5
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BU of 2ov5 by Molmil
Crystal structure of the KPC-2 carbapenemase
分子名称: BICINE, Carbapenemase
著者Ke, W, Bethel, C.R, Thomson, J.M, Bonomo, R.A, van den Akker, F.
登録日2007-02-13
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of KPC-2: Insights into Carbapenemase Activity in Class A beta-Lactamases.
Biochemistry, 46, 2007
2QPN
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BU of 2qpn by Molmil
GES-1 beta-lactamase
分子名称: Beta-lactamase GES-1, SULFATE ION
著者Smith, C.A, Caccamo, M, Kantardjieff, K.A, Vakulenko, S.
登録日2007-07-24
公開日2008-08-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structure of GES-1 at atomic resolution: insights into the evolution of carbapenamase activity in the class A extended-spectrum beta-lactamases.
Acta Crystallogr.,Sect.D, 63, 2007
7LR9
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BU of 7lr9 by Molmil
Crystal structure of KPC-2 S70G/T215P mutant with hydrolyzed imipenem
分子名称: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC
著者Furey, I, Palzkill, T, Hu, L, Prasad, B.V.V.
登録日2021-02-16
公開日2022-08-10
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Crystal structure of KPC-2 T215P mutant
To Be Published
2V20
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BU of 2v20 by Molmil
Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions. Complex with sulfate.
分子名称: BETA-LACTAMASE TEM, SULFATE ION, ZINC ION
著者Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P.
登録日2007-05-31
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
2V1Z
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BU of 2v1z by Molmil
Structure of a TEM-1 beta-lactamase insertant allosterically regulated by kanamycin and anions.
分子名称: BETA-LACTAMASE TEM, ZINC ION
著者Evrard, C, Barrios, H, Mathonet, P, Soumillion, P, Fastrez, J, Declercq, J.P.
登録日2007-05-31
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Engineering an Allosteric Binding Site for Aminoglycosides Into Tem1-Beta-Lactamase.
Chembiochem, 12, 2011
7DDM
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BU of 7ddm by Molmil
Crystal Structure of PenA39 beta-Lactamase
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ALA-ALA-ARG-ASP-ALA-ALA-VAL-SER-ASP-ALA-ALA-ALA, ...
著者Nukaga, M, Hoshino, T, Papp-Wallace, K.M.
登録日2020-10-29
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Frameshift mutations in genes encoding PBP3 and PBP4 trigger an unusual, extreme beta-lactam resistance phenotype in Burkholderia multivorans
To Be Published
5KKF
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BU of 5kkf by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L
分子名称: Beta-lactamase TEM
著者Roose, B.W, Dmochowski, I.J.
登録日2016-06-21
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5KMU
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BU of 5kmu by Molmil
CTX-M-9 beta lactamase mutant - T165W
分子名称: Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Latallo, M, Faham, S, Kasson, P.M.
登録日2016-06-27
公開日2017-08-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme.
Chem Sci, 8, 2017
5KMW
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BU of 5kmw by Molmil
TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
分子名称: Beta-lactamase Toho-1, OPEN FORM - PENICILLIN G, PENICILLIN G, ...
著者Coates, L, Langan, P.S, Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Ginell, S.L.
登録日2016-06-27
公開日2017-03-01
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
to be published
5KPU
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BU of 5kpu by Molmil
Crystal structure of TEM1 beta-lactamase mutant I263L in the presence of 1.2 MPa xenon
分子名称: Beta-lactamase TEM, XENON
著者Roose, B.W, Dmochowski, I.J.
登録日2016-07-05
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A Structural Basis for129Xe Hyper-CEST Signal in TEM-1 beta-Lactamase.
Chemphyschem, 2018
5KMT
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BU of 5kmt by Molmil
CTX-M9 mutant L48A
分子名称: Beta-lactamase, PHOSPHATE ION, POTASSIUM ION
著者Latallo, M.J, Faham, S, Kasson, P.M.
登録日2016-06-27
公開日2017-08-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Predicting allosteric mutants that increase activity of a major antibiotic resistance enzyme.
Chem Sci, 8, 2017
5KSC
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BU of 5ksc by Molmil
E166A/R274N/R276N Toho-1 Beta-lactamase aztreonam acyl-enzyme intermediate
分子名称: 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, Beta-lactamase Toho-1
著者Vandavasi, V.G, Langan, P.S, Weiss, K, Parks, J.M, Cooper, J.B, Ginell, S.L, Coates, L.
登録日2016-07-08
公開日2016-11-09
最終更新日2019-12-04
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A beta-Lactamase with a Monobactam Substrate.
Antimicrob. Agents Chemother., 61, 2017

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件を2024-06-12に公開中

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