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3HBR
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BU of 3hbr by Molmil
Crystal structure of OXA-48 beta-lactamase
Descriptor: 1,2-ETHANEDIOL, OXA-48
Authors:Calderone, V, Mangani, S, Benvenuti, M, Rossolini, G.M, Docquier, J.D.
Deposit date:2009-05-05
Release date:2009-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the OXA-48 beta-lactamase reveals mechanistic diversity among class D carbapenemases.
Chem.Biol., 16, 2009
2ZQD
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BU of 2zqd by Molmil
Ceftazidime acyl-intermediate structure of class a beta-lact Toho-1 E166A/R274N/R276N triple mutant
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase Toho-1, SULFATE ION
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
2ZQ9
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BU of 2zq9 by Molmil
Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1 E166A/R274N/R276N triple mutant
Descriptor: 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase Toho-1, CEPHALOTHIN, ...
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
2ZQC
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BU of 2zqc by Molmil
Aztreonam acyl-intermediate structure of class a beta-lactam Toho-1 E166A/R274N/R276N triple mutant
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, Beta-lactamase Toho-1, SULFATE ION
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
2ZQA
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BU of 2zqa by Molmil
Cefotaxime acyl-intermediate structure of class a beta-lacta Toho-1 E166A/R274N/R276N triple mutant
Descriptor: Beta-lactamase Toho-1, CEFOTAXIME, C3' cleaved, ...
Authors:Nitanai, Y, Shimamura, T, Uchiyama, T, Ishii, Y, Takehira, M, Yutani, K, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structural Basis of Extend Spectrum Beta-Lactamase in Correlation of Enzymatic Kinetics and Thermal Stability of Acyl-Intermediates
To be Published
2ZQ8
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BU of 2zq8 by Molmil
Apo structure of class a beta-lactamase Toho-1 R274N/R276N double mutant
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Improvement of crystal quality by surface mutations of beta-lactamase Toho-1
Acta Crystallogr.,Sect.F, 65, 2009
2ZQ7
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BU of 2zq7 by Molmil
Apo structure of Class A beta-lactamase Toho-1 E166A/R274N/R276N triple mutant
Descriptor: Beta-lactamase Toho-1, SULFATE ION
Authors:Shimamura, T, Nitanai, Y, Uchiyama, T, Ago, H, Matsuzawa, H, Miyano, M.
Deposit date:2008-08-07
Release date:2009-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (0.94 Å)
Cite:Improvement of the Crystal Quality by the Surface Mutations on a Beta-Lactamase Toho-1
To be Published
2WGI
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BU of 2wgi by Molmil
Crystal structure of the acyl-enzyme OXA-10 W154A-benzylpenicillin at pH 6
Descriptor: BETA-LACTAMASE OXA-10, GLYCEROL, OPEN FORM - PENICILLIN G
Authors:Vercheval, L, Falzone, C, Sauvage, E, Herman, R, Charlier, P, Galleni, M, Kerff, F.
Deposit date:2009-04-20
Release date:2009-11-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Critical Role of Tryptophan 154 for the Activity and Stability of Class D Beta-Lactamases.
Biochemistry, 48, 2009
3ISG
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BU of 3isg by Molmil
Structure of the class D beta-lactamase OXA-1 in complex with doripenem
Descriptor: (2S,3R,4S)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-4-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-3,4-dihydro-2H-pyrrole-5-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase OXA-1
Authors:Powers, R.A.
Deposit date:2009-08-25
Release date:2009-12-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The 1.4 A crystal structure of the class D beta-lactamase OXA-1 complexed with doripenem.
Biochemistry, 48, 2009
2WYX
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BU of 2wyx by Molmil
Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant
Descriptor: BETA-LACTAMSE TOHO-1
Authors:Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L.
Deposit date:2009-11-20
Release date:2010-01-12
Last modified:2024-05-08
Method:NEUTRON DIFFRACTION (2.1 Å)
Cite:Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
3FV7
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BU of 3fv7 by Molmil
OXA-24 beta-lactamase complex with SA4-44 inhibitor
Descriptor: (2S)-2-[[2-methanoyl-7-(methoxycarbonylamino)indolizin-3-yl]amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24
Authors:Bou, G, Santillana, E, Sheri, A, Beceiro, A, Sampson, J.M, Kalp, M, Bethel, C.R, Distler, A.M, Drawz, S.M, Pagadala, S.R, Van den Akker, F, Bonomo, R.A, Romero, A, Buynak, J.D.
Deposit date:2009-01-15
Release date:2010-02-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
3FZC
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BU of 3fzc by Molmil
OXA-24 beta-lactamase complex with SA3-53 inhibitor
Descriptor: (2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL
Authors:Romero, A, Santillana, E.
Deposit date:2009-01-24
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
3FYZ
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BU of 3fyz by Molmil
OXA-24 beta-lactamase complex with SA4-17 inhibitor
Descriptor: (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid, Beta-lactamase OXA-24, TETRAETHYLENE GLYCOL
Authors:Romero, A, Santillana, E.
Deposit date:2009-01-23
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase.
J.Am.Chem.Soc., 132, 2010
3G4P
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BU of 3g4p by Molmil
OXA-24 beta-lactamase at pH 7.5
Descriptor: Beta-lactamase OXA-24
Authors:Santillana, E, Romero, A.
Deposit date:2009-02-04
Release date:2010-02-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design, synthesis, and crystal structures of 6-alkylidene-2'-substituted penicillanic acid sulfones as potent inhibitors of Acinetobacter baumannii OXA-24 carbapenemase
J.Am.Chem.Soc., 132, 2010
3LCE
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BU of 3lce by Molmil
Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic
Descriptor: (1S,3S,4S,5S)-7,7-dichloro-3-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic acid, Beta-lactamase OXA-10, GLYCEROL, ...
Authors:Gretes, M, Strynadka, N.C.J.
Deposit date:2010-01-10
Release date:2010-03-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cyclobutanone Analogues of beta-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-beta-Lactamases.
J.Am.Chem.Soc., 132, 2010
3IF6
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BU of 3if6 by Molmil
Crystal structure of OXA-46 beta-lactamase from P. aeruginosa
Descriptor: 1,2-ETHANEDIOL, HEXAETHYLENE GLYCOL, L(+)-TARTARIC ACID, ...
Authors:Docquier, J.D, Benvenuti, M, Calderone, V, Giuliani, F, Kapetis, D, De Luca, F, Rossolini, G.M, Mangani, S.
Deposit date:2009-07-24
Release date:2010-03-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the narrow-spectrum OXA-46 class D beta-lactamase: relationship between active-site lysine carbamylation and inhibition by polycarboxylates
Antimicrob.Agents Chemother., 54, 2010
3LO7
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BU of 3lo7 by Molmil
Crystal structure of PBPA from Mycobacterium tuberculosis
Descriptor: Penicillin-binding protein A
Authors:Fedarovich, A, Davies, C.
Deposit date:2010-02-03
Release date:2010-03-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Unusual conformation of the SxN motif in the crystal structure of penicillin-binding protein A from Mycobacterium tuberculosis.
J.Mol.Biol., 398, 2010
2WGW
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BU of 2wgw by Molmil
Crystal structure of the OXA-10 V117T mutant at pH 8.0
Descriptor: BETA-LACTAMASE OXA-10, GLYCEROL, SULFATE ION
Authors:Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-04-27
Release date:2010-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WGV
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BU of 2wgv by Molmil
Crystal structure of the OXA-10 V117T mutant at pH 6.5 inhibited by a chloride ion
Descriptor: BETA-LACTAMASE OXA-10, CHLORIDE ION, CITRIC ACID, ...
Authors:Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-04-27
Release date:2010-05-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post- Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2XD1
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BU of 2xd1 by Molmil
ACTIVE SITE RESTRUCTURING REGULATES LIGAND RECOGNITION IN CLASS A PENICILLIN-BINDING PROTEINS
Descriptor: CEFOTAXIME, C3' cleaved, open, ...
Authors:Macheboeuf, P, Di Guilmi, A.M, Job, V, Vernet, T, Dideberg, O, Dessen, A.
Deposit date:2010-04-28
Release date:2010-05-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Active Site Restructuring Regulates Ligand Recognition in Class a Penicillin-Binding Proteins.
Proc.Natl.Acad.Sci.USA, 102, 2005
2XD5
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BU of 2xd5 by Molmil
Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b
Descriptor: CHLORIDE ION, N-BENZOYL-D-ALANINE, PENICILLIN-BINDING PROTEIN 1B, ...
Authors:Macheboeuf, P, Lemaire, D, Jamin, M, Dideberg, O, Dessen, A.
Deposit date:2010-04-29
Release date:2010-05-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae Pbp1B
To be Published
2WKI
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BU of 2wki by Molmil
Crystal structure of the OXA-10 K70C mutant at pH 7.0
Descriptor: 1,2-ETHANEDIOL, BETA-LACTAMASE OXA-10, GLYCEROL, ...
Authors:Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-06-11
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
2WKH
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BU of 2wkh by Molmil
Crystal structure of the acyl-enzyme OXA-10 K70C-Ampicillin at pH 7
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, BETA-LACTAMASE OXA-10, SULFATE ION
Authors:Vercheval, L, Bauvois, C, Kerff, F, Sauvage, E, Guiet, R, Charlier, P, Galleni, M.
Deposit date:2009-06-11
Release date:2010-08-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:Three Factors that Modulate the Activity of Class D Beta-Lactamases and Interfere with the Post-Translational Carboxylation of Lys70.
Biochem.J., 432, 2010
3OC2
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BU of 3oc2 by Molmil
Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa
Descriptor: CHLORIDE ION, Penicillin-binding protein 3
Authors:Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF)
Deposit date:2010-08-09
Release date:2010-11-10
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011
3OCN
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BU of 3ocn by Molmil
Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex with ceftazidime
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, penicillin-binding protein 3
Authors:Sainsbury, S, Bird, L, Stuart, D.I, Owens, R.J, Ren, J, Oxford Protein Production Facility (OPPF)
Deposit date:2010-08-10
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structures of penicillin-binding protein 3 from Pseudomonas aeruginosa: comparison of native and antibiotic-bound forms
J.Mol.Biol., 405, 2011

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数据于2024-06-12公开中

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