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8PCB
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BU of 8pcb by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 80 ms
Descriptor: BORATE ION, Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PCA
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BU of 8pca by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms
Descriptor: Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8PC9
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BU of 8pc9 by Molmil
Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 0 ms - native.
Descriptor: Beta-lactamase, SULFATE ION
Authors:Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C.
Deposit date:2023-06-11
Release date:2024-06-26
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
8OE5
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BU of 8oe5 by Molmil
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3
Descriptor: Beta-lactamase, CITRATE ANION, GLYCEROL
Authors:Sun, J, Chikunova, A, Ubbink, M.
Deposit date:2023-03-10
Release date:2023-08-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
8OE1
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BU of 8oe1 by Molmil
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 5
Descriptor: Beta-lactamase, GLYCEROL
Authors:Sun, J, Chikunova, A, Ubbink, M.
Deposit date:2023-03-10
Release date:2023-08-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Enhanced activity against a third-generation cephalosporin by destabilization of the active site of a class A beta-lactamase.
Int.J.Biol.Macromol., 250, 2023
8KEM
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BU of 8kem by Molmil
PKS domains-fused AmpC EC2
Descriptor: SDR family NAD(P)-dependent oxidoreductase,Beta-lactamase
Authors:Son, S.Y, Bae, D.W, Cha, S.S.
Deposit date:2023-08-12
Release date:2024-06-05
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2.76998281 Å)
Cite:Structural investigation of the docking domain assembly from trans-AT polyketide synthases.
Structure, 2024
8JOI
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BU of 8joi by Molmil
Crystal Structure of Bel-1 E166A Mutant.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, Beta-lactamase, ...
Authors:Dhankhar, K, Hazra, S.
Deposit date:2023-06-07
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Bel-1 E166A Mutant
To Be Published
8JK3
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BU of 8jk3 by Molmil
Crystal Structure of Bel-1 Extended Spectrum Beta-lactamase in Hexagonal Form
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Beta-lactamase, ...
Authors:Dhankhar, K, Hazra, S.
Deposit date:2023-05-31
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Bel-1 ESBL in Hexagonal Form
To Be Published
8JB8
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BU of 8jb8 by Molmil
Crystal structure of CMY-185 complex with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Kawai, A, Doi, Y.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8JB7
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BU of 8jb7 by Molmil
Crystal structure of CMY-185
Descriptor: Beta-lactamase, SULFATE ION
Authors:Kawai, A, Doi, Y.
Deposit date:2023-05-08
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural insights into the molecular mechanism of high-level ceftazidime-avibactam resistance conferred by CMY-185.
Mbio, 15, 2024
8J6Y
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BU of 8j6y by Molmil
Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
Descriptor: Beta-lactamase PSE-4, SULFATE ION
Authors:Sarkar, M, Bhattacharya, S, Hazra, S.
Deposit date:2023-04-26
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of class A beta-lactamase PSE-4 WT- Apo state
To be published
8J5V
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BU of 8j5v by Molmil
Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin
Descriptor: Carboxylesterase
Authors:Chi, C.B, Liang, Z.D, Huo, B.Q, Hu, C.X, Sun, Q.Y.
Deposit date:2023-04-24
Release date:2024-05-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of estZF172 as a novel biocatalyst for the efficient biosynthesis of a chiral intermediate of pregabalin
To Be Published
8IY4
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BU of 8iy4 by Molmil
Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
Descriptor: (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d ihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-04-03
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Class A beta-lactamase BlaA WT - complex with Meropenem
To be published
8IXX
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BU of 8ixx by Molmil
Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem
Descriptor: (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-04-03
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Class A beta-lactamase BlaA WT - complex with Ertapenem
To be published
8IX8
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BU of 8ix8 by Molmil
Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem
Descriptor: (4R,5S)-3-(1-(4,5-dihydrothiazol-2-yl)azetidin-3-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-methyl-4,5- dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Class A beta-lactamase BlaA WT - complex with Tebipenem
To be published
8IWV
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BU of 8iwv by Molmil
Crystal structure of BlaA-1 APO
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Bhattacharya, S, Hazra, S.
Deposit date:2023-03-31
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of BlaA-1 APO
To be published
8ISR
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BU of 8isr by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by cefaclor
Descriptor: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-chloro-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
Deposit date:2023-03-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISQ
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BU of 8isq by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ...
Authors:Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
Deposit date:2023-03-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISP
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BU of 8isp by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1 E166Q acylated by cephalexin
Descriptor: (R)-2-((R)-((R)-2-amino-2-phenylacetamido)(carboxy)methyl)-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase
Authors:Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
Deposit date:2023-03-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8ISO
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BU of 8iso by Molmil
Crystal structure of extended-spectrum class A beta-lactamase, CESS-1
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, Beta-lactamase
Authors:Jeong, B.G, Kim, M.Y, Jeong, C.S, Do, H.W, Lee, J.H, Cha, S.S.
Deposit date:2023-03-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Characterization of the extended substrate spectrum of the class A beta-lactamase CESS-1 from Stenotrophomonas sp. and structure-based investigation into its substrate preference.
Int J Antimicrob Agents, 63, 2024
8GCX
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BU of 8gcx by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 700 ms
Descriptor: Beta-lactamase, PHOSPHATE ION, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCV
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BU of 8gcv by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCT
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BU of 8gct by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 6 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8GCS
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BU of 8gcs by Molmil
XFEL structure of Mycobacterium tuberculosis beta lactamase microcrystals mixed with sulbactam for 3 ms
Descriptor: Beta-lactamase, PHOSPHATE ION
Authors:Malla, T.N, Schmidt, M.
Deposit date:2023-03-03
Release date:2023-09-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Heterogeneity in M. tuberculosis beta-lactamase inhibition by Sulbactam.
Nat Commun, 14, 2023
8G2T
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BU of 8g2t by Molmil
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH RELEBACTAM (IMINE HYDROLYSIS INTERMEDIATE)
Descriptor: (2S,5R)-5-amino-1-formyl-5-hydroxy-N-(piperidin-4-yl)piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC, PHOSPHATE ION
Authors:Alsenani, T, van den Akker, F.
Deposit date:2023-02-06
Release date:2023-08-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Exploring avibactam and relebactam inhibition of Klebsiella pneumoniae carbapenemase D179N variant: role of the Omega loop-held deacylation water.
Antimicrob.Agents Chemother., 67, 2023

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PDB entries from 2024-09-11

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