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PDB: 1013 results

9DHL
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BU of 9dhl by Molmil
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Descriptor: AmpC Beta-lactamase, N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
Authors:Liu, F, Shoichet, B.K.
Deposit date:2024-09-04
Release date:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The impact of Library Size and Scale of Testing on Virtual Screening
To Be Published
2BLS
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BU of 2bls by Molmil
AMPC BETA-LACTAMASE FROM ESCHERICHIA COLI
Descriptor: AMPC BETA-LACTAMASE
Authors:Usher, K.C, Wery, J.-P, Blaszczak, L.C, Remington, S.J.
Deposit date:1998-06-03
Release date:1998-08-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Three-dimensional structure of AmpC beta-lactamase from Escherichia coli bound to a transition-state analogue: possible implications for the oxyanion hypothesis and for inhibitor design.
Biochemistry, 37, 1998
4WBG
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BU of 4wbg by Molmil
Crystal structure of class C beta-lactamase Mox-1 covalently complexed with aztorenam
Descriptor: 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, ACETATE ION, Beta-lactamase, ...
Authors:Oguri, T, Shimizu-ibuka, A, Ishii, Y.
Deposit date:2014-09-03
Release date:2015-07-01
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Conformational Change Observed in the Active Site of Class C beta-Lactamase MOX-1 upon Binding to Aztreonam
Antimicrob.Agents Chemother., 59, 2015
9D93
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BU of 9d93 by Molmil
Mycobacteriophage Bxb1 tail tip - Composite map and model
Descriptor: Major tail protein, Minor tail protein, Tapemeasure protein
Authors:Freeman, K.G.
Deposit date:2024-08-20
Release date:2024-09-25
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Structure and infection dynamics of mycobacteriophage Bxb1
To Be Published
7Y3Z
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BU of 7y3z by Molmil
Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
Descriptor: Fenoxaprop-p-ethyl hydrolase
Authors:Huang, Y, Liu, W.D, Zhang, Y.J, Duan, Y.J, Lu, M.L.
Deposit date:2022-06-13
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a novel carboxylesterase FEH from Acinetobacter sp. DL-2
To Be Published
1C3B
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BU of 1c3b by Molmil
AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR, BENZO(B)THIOPHENE-2-BORONIC ACID (BZB)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, CEPHALOSPORINASE
Authors:Powers, R.A, Blazquez, J, Weston, G.S, Morosini, M.I, Baquero, F, Shoichet, B.K.
Deposit date:1999-07-27
Release date:1999-11-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The complexed structure and antimicrobial activity of a non-beta-lactam inhibitor of AmpC beta-lactamase.
Protein Sci., 8, 1999
5W14
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BU of 5w14 by Molmil
ADC-7 in complex with boronic acid transition state inhibitor S03043
Descriptor: 3-{1-[(2R)-2-borono-2-{[(thiophen-2-yl)acetyl]amino}ethyl]-1H-1,2,3-triazol-4-yl}benzoic acid, Beta-lactamase
Authors:Smolen, K.A, Powers, R.A, Wallar, B.J.
Deposit date:2017-06-01
Release date:2017-11-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Inhibition of Acinetobacter-Derived Cephalosporinase: Exploring the Carboxylate Recognition Site Using Novel beta-Lactamase Inhibitors.
ACS Infect Dis, 4, 2018
5E2H
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BU of 5e2h by Molmil
Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis
Descriptor: Beta-lactamase, CHLORIDE ION, GLYCEROL
Authors:Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2015-10-01
Release date:2015-10-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis
To Be Published
1SCW
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BU of 1scw by Molmil
TOWARD BETTER ANTIBIOTICS: CRYSTAL STRUCTURE OF R61 DD-PEPTIDASE INHIBITED BY A NOVEL MONOCYCLIC PHOSPHATE INHIBITOR
Descriptor: (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE, D-alanyl-D-alanine carboxypeptidase, GLYCEROL
Authors:Silvaggi, N.R, Kaur, K, Adediran, S.A, Pratt, R.F, Kelly, J.A.
Deposit date:2004-02-12
Release date:2004-06-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Toward Better Antibiotics: Crystallographic Studies of a Novel Class of DD-Peptidase/beta-Lactamase Inhibitors.
Biochemistry, 43, 2004
6PWL
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BU of 6pwl by Molmil
ADC-7 in complex with boronic acid transition state inhibitor LP06
Descriptor: (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid, Beta-lactamase, GLYCINE
Authors:Curtis, B.C, Powers, R.A, Wallar, B.J.
Deposit date:2019-07-23
Release date:2020-10-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog.
Antimicrob.Agents Chemother., 64, 2020
4GDN
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BU of 4gdn by Molmil
Structure of FmtA-like protein
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein flp
Authors:Cougnoux, A, Gibold, L, Delmas, J, Robin, F, Dalmasso, G, Bonnet, R.
Deposit date:2012-08-01
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Analysis of Structure-Function Relationships in the Colibactin-Maturating Enzyme ClbP.
J.Mol.Biol., 424, 2012
6PWM
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BU of 6pwm by Molmil
ADC-7 in complex with Beta-lactam antibiotic ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase, GLYCINE
Authors:Curtis, B.C, Powers, R.A, Wallar, B.J.
Deposit date:2019-07-23
Release date:2020-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into Inhibition of the Acinetobacter-Derived Cephalosporinase ADC-7 by Ceftazidime and Its Boronic Acid Transition State Analog.
Antimicrob.Agents Chemother., 64, 2020
1S6R
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BU of 1s6r by Molmil
908R class c beta-lactamase bound to iodo-acetamido-phenyl boronic acid
Descriptor: 4-IODO-ACETAMIDO PHENYLBORONIC ACID, beta-lactamase
Authors:Wouters, J.
Deposit date:2004-01-27
Release date:2004-02-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Crystal structure of Enterobacter cloacae 908R class C beta-lactamase bound to iodo-acetamido-phenyl boronic acid, a transition-state analogue.
Cell.Mol.Life Sci., 60, 2003
6WHF
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BU of 6whf by Molmil
class C beta-lactamase from Escherichia coli in complex with cephalothin
Descriptor: (2R)-5-[(acetyloxy)methyl]-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-08
Release date:2020-04-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:class C beta-lactamase from Escherichia coli in complex with Cephalothin
To Be Published
6WIF
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BU of 6wif by Molmil
Class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase, ...
Authors:Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-09
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:class C beta-lactamase from Acinetobacter baumannii in complex with 4-(Ethyl(methyl)carbamoyl)phenyl boronic acid
To Be Published
6WGQ
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BU of 6wgq by Molmil
The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, CHLORIDE ION, ...
Authors:Tan, K, Wu, R, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2020-04-06
Release date:2020-04-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of a beta-lactamase from Shigella flexneri 2a str. 2457T
To Be Published
7SPN
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BU of 7spn by Molmil
Crystal structure of IS11, a thermophilic esterase
Descriptor: IS11
Authors:Stogios, P.J, Evdokimova, E, Khusnutdinova, A, Yakunin, A.F, Savchenko, A.
Deposit date:2021-11-02
Release date:2022-08-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of IS11, a thermophilic esterase
To Be Published
2HDU
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BU of 2hdu by Molmil
AmpC beta-lactamase in complex with 2-acetamidothiophene-3-carboxylic acid
Descriptor: 2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2HDQ
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BU of 2hdq by Molmil
AmpC beta-lactamase in complex with 2-carboxythiophene
Descriptor: Beta-lactamase, THIOPHENE-2-CARBOXYLIC ACID
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
2I72
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BU of 2i72 by Molmil
AmpC beta-lactamase in complex with 5-diformylaminomethyl-benzo[b]thiophen-2-boronic acid
Descriptor: Beta-lactamase, {5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-2-YL}BORONIC ACID
Authors:Venturelli, A, Cancian, L, Tondi, D, Morandi, F, Cannazza, G, Segatore, B, Prati, F, Amicosante, G, Shoichet, B.K, Costi, M.P.
Deposit date:2006-08-30
Release date:2007-09-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Optimizing Cell Permeation of an Antibiotic Resistance Inhibitor for Improved Efficacy
J.Med.Chem., 50, 2007
2HDS
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BU of 2hds by Molmil
AmpC beta-lactamase in complex with 4-Methanesulfonylamino benzoic acid
Descriptor: 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Babaoglu, K, Shoichet, B.K.
Deposit date:2006-06-20
Release date:2006-11-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Deconstructing fragment-based inhibitor discovery
Nat.Chem.Biol., 2, 2006
1IEL
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BU of 1iel by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with Ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, PHOSPHATE ION, beta-lactamase
Authors:Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K.
Deposit date:2001-04-10
Release date:2001-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
1IEM
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BU of 1iem by Molmil
Crystal Structure of AmpC beta-lactamase from E. coli in Complex with a Boronic Acid Inhibitor (1, CefB4)
Descriptor: PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, beta-lactamase
Authors:Powers, R.A, Caselli, E, Focia, P.J, Prati, F, Shoichet, B.K.
Deposit date:2001-04-10
Release date:2001-08-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of ceftazidime and its transition-state analogue in complex with AmpC beta-lactamase: implications for resistance mutations and inhibitor design.
Biochemistry, 40, 2001
7PU6
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BU of 7pu6 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY) COMPLEXED WITH A DERIVATIVE OF OCTYL 4-NITROPHENYL HEXYLPHOSPHONATE
Descriptor: Esterase, GLYCEROL, hexyl(octoxy)phosphinic acid
Authors:Cea Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-28
Release date:2022-07-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022
7PP3
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BU of 7pp3 by Molmil
STRUCTURE OF ESTER-HYDROLASE EH7 FROM THE METAGENOME OF MARINE SEDIMENTS AT MILAZZO HARBOR (SICILY, ITALY)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Esterase, ...
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2021-09-13
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of a family VIII beta-lactamase fold hydrolase reveals the molecular mechanism for its broad substrate scope.
Febs J., 289, 2022

227344

数据于2024-11-13公开中

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