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7LAM
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BU of 7lam by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N',N''-triacetylchitotriose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LAQ
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BU of 7laq by Molmil
Crystal structure of Campylobacter jejuni Cj0843c lytic transglycosylase in complex with N,N'-diacetylchitobiose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CITRIC ACID, ...
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-01-06
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Turnover Chemistry and Structural Characterization of the Cj0843c Lytic Transglycosylase of Campylobacter jejuni .
Biochemistry, 60, 2021
7LY1
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BU of 7ly1 by Molmil
Crystal structure of Pseudomonas aeruginosa PBP3 in complex with vaborbactam
Descriptor: Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
Authors:van den Akker, F, Kumar, V.
Deposit date:2021-03-05
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of the boronic acid beta-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3.
Plos One, 16, 2021
2P08
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BU of 2p08 by Molmil
Structure of the N-terminally truncated PAS domain of signal transduction histidine kinase from Nostoc punctiforme PCC 73102 with homology to the H-NOXA/H-NOBA domain of the soluble guanylyl cyclase
Descriptor: SULFATE ION, signal transduction histidine kinase
Authors:van den Akker, F, Ma, X.
Deposit date:2007-02-28
Release date:2007-11-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:PAS-mediated dimerization of soluble guanylyl cyclase revealed by signal transduction histidine kinase domain crystal structure.
J.Biol.Chem., 283, 2008
2P04
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BU of 2p04 by Molmil
2.1 Ang structure of the dimerized PAS domain of signal transduction histidine kinase from Nostoc punctiforme PCC 73102 with homology to the H-NOXA/H-NOBA domain of the soluble guanylyl cyclase
Descriptor: signal transduction histidine kinase
Authors:van den Akker, F, Ma, X.
Deposit date:2007-02-28
Release date:2007-11-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:PAS-mediated dimerization of soluble guanylyl cyclase revealed by signal transduction histidine kinase domain crystal structure.
J.Biol.Chem., 283, 2008
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
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Broad-spectrum beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ...
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Effect of the inhibitor-resistant M69V substitution on the structures and populations of trans-enamine beta-lactamase intermediates.
Biochemistry, 45, 2006
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
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, TAZOBACTAM INTERMEDIATE
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, ETHANESULFONIC ACID, ...
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-15
Release date:2007-01-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (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
Authors:van den Akker, F, Padayatti, P.S.
Deposit date:2006-05-27
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.28 Å)
Cite: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
4DXB
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BU of 4dxb by Molmil
2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 space group
Descriptor: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
Authors:van den Akker, F, Ke, W.
Deposit date:2012-02-27
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
4DXC
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BU of 4dxc by Molmil
Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group
Descriptor: Maltose-binding periplasmic protein, Beta-lactamase TEM chimera, ZINC ION
Authors:van den Akker, F, Ke, W.
Deposit date:2012-02-27
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of an Engineered beta-Lactamase Maltose Binding Protein Fusion Protein: Insights into Heterotropic Allosteric Regulation.
Plos One, 7, 2012
4GD6
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BU of 4gd6 by Molmil
SHV-1 beta-lactamase in complex with penam sulfone SA1-204
Descriptor: (3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:van den Akker, F, Wei, K.
Deposit date:2012-07-31
Release date:2013-07-31
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Plos One, 7, 2012
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
8G2R
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BU of 8g2r by Molmil
CRYSTAL STRUCTURE OF THE KPC-2 D179N VARIANT IN COMPLEX WITH AVIBACTAM
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Carbapenem-hydrolyzing beta-lactamase KPC
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 (1.28 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
8SDV
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BU of 8sdv by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDL
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BU of 8sdl by Molmil
Crystal structure of PDC-3 beta-lactamase
Descriptor: Beta-lactamase, IMIDAZOLE, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDR
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BU of 8sdr by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
8SDN
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BU of 8sdn by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase
Descriptor: Beta-lactamase, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDT
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BU of 8sdt by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, IMIDAZOLE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
8SDS
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BU of 8sds by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
4R3B
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BU of 4r3b by Molmil
Crystal structure of SHV-1 b-lactamase in complex with 6b-(hydroxymethyl)penicillanic acid sulfone PSR-283A
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, N-[(1E)-2-formyl-3-hydroxyprop-1-en-1-yl]-3-[(S)-sulfino]-D-valine
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2014-08-14
Release date:2015-01-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Detecting a Quasi-stable Imine Species on the Reaction Pathway of SHV-1 beta-Lactamase and 6 beta-(Hydroxymethyl)penicillanic Acid Sulfone.
Biochemistry, 54, 2015
4ZAM
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BU of 4zam by Molmil
Crystal structure of SHV-1 beta-lactamase bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Krishnan, N, van den Akker, F.
Deposit date:2015-04-13
Release date:2016-01-27
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
4ZBE
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BU of 4zbe by Molmil
Crystal structure of KPC-2 beta-lactamase complexed with avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC
Authors:Nguyen, N.Q, van den Akker, F.
Deposit date:2015-04-14
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Inhibition of Klebsiella beta-Lactamases (SHV-1 and KPC-2) by Avibactam: A Structural Study.
Plos One, 10, 2015
5EE8
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BU of 5ee8 by Molmil
Crystal structure of S02030 boronic acid inhibitor complexed to SHV-1 beta-lactamase
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE
Authors:Krishnan, N, van den Akker, F.
Deposit date:2015-10-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016
5EEC
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BU of 5eec by Molmil
Crystal structure of KPC-2 beta-lactamase in complex with the S02030 boronic acid inhibitor
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Carbapenem-hydrolyzing beta-lactamase KPC, SULFATE ION
Authors:Nguyen, N.Q, van den Akker, F.
Deposit date:2015-10-22
Release date:2016-02-03
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Crystal Structures of KPC-2 and SHV-1 beta-Lactamases in Complex with the Boronic Acid Transition State Analog S02030.
Antimicrob.Agents Chemother., 60, 2016

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