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8CKF
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BU of 8ckf by Molmil
Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand
Descriptor: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4
Authors:Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J.
Deposit date:2023-02-15
Release date:2023-08-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.
Acs Chem.Biol., 18, 2023
7ODA
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BU of 7oda by Molmil
OXA-48-like Beta-lactamase OXA-436
Descriptor: 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Thomassen, A.M, Carlsen, T.J.W, Leiros, H.K.S.
Deposit date:2021-04-29
Release date:2021-09-08
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436.
Acta Crystallogr.,Sect.F, 77, 2021
5OE0
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BU of 5oe0 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-181
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S, Thomassen, A.M.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.0500083 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6GOA
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BU of 6goa by Molmil
Structural basis for OXA-48 dimerization - R189A mutant
Descriptor: Beta-lactamase, CHLORIDE ION
Authors:Lund, B.A, Thomassen, A.M, Leiros, H.K.S.
Deposit date:2018-06-01
Release date:2018-07-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6Q5F
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BU of 6q5f by Molmil
OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
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, Beta-lactamase, CHLORIDE ION, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O.
Deposit date:2018-12-08
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
Deposit date:2018-12-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
5ODZ
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BU of 5odz by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-163
Descriptor: Beta-lactamase, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Lund, B.A, Carlsen, T.J.O, Leiros, H.K.S.
Deposit date:2017-07-07
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
Descriptor: Beta-lactamase
Authors:Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
5OE2
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BU of 5oe2 by Molmil
CRYSTAL STRUCTURE OF THE BETA-LACTAMASE OXA-245
Descriptor: Beta-lactamase, CHLORIDE ION, SODIUM ION
Authors:Lund, B.A, Leiros, H.K.S.
Deposit date:2017-07-07
Release date:2017-08-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure, activity and thermostability investigations of OXA-163, OXA-181 and OXA-245 using biochemical analysis, crystal structures and differential scanning calorimetry analysis.
Acta Crystallogr F Struct Biol Commun, 73, 2017
6SKQ
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BU of 6skq by Molmil
OXA-655_MEM. Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
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, SULFATE ION
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKP
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BU of 6skp by Molmil
OXA-10_IPM. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
Descriptor: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, Beta-lactamase, SODIUM ION, ...
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.891 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020
6SKR
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BU of 6skr by Molmil
OXA-10_ETP. Structural insight to the enhanced carbapenem efficiency of OXA-655 compared to OXA-10.
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, FORMIC ACID, ...
Authors:Leiros, H.-K.S.
Deposit date:2019-08-16
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into the enhanced carbapenemase efficiency of OXA-655 compared to OXA-10.
Febs Open Bio, 10, 2020

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