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3Q6V
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BU of 3q6v by Molmil
Crystal Structure of Serratia fonticola Sfh-I: glycerol complex
Descriptor: Beta-lactamase, GLYCEROL, ZINC ION
Authors:Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
Deposit date:2011-01-03
Release date:2011-07-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Crystal structure of Serratia fonticola Sfh-I: activation of the nucleophile in mono-zinc metallo-beta-lactamases.
J.Mol.Biol., 411, 2011
3SD9
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BU of 3sd9 by Molmil
Crystal structure of serratia fonticola SFH-I: Source of the nucleophile in the catalytic mechanism of mono-zinc metallo-beta-lactamases
Descriptor: Beta-lactamase, ZINC ION
Authors:Fonseca, F, Saavedra, M.J, Correia, A, Spencer, J.
Deposit date:2011-06-08
Release date:2011-07-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of Serratia fonticola Sfh-I: Activation of the Nucleophile in Mono-Zinc Metallo-beta-Lactamases
To be Published, 2011
4EV4
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BU of 4ev4 by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1 E166A mutant with the acylenzyme intermediate of 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, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1
Authors:Fonseca, F, Spencer, J.
Deposit date:2012-04-25
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
4EQI
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BU of 4eqi by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1
Descriptor: 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, SODIUM ION
Authors:Fonseca, F, Spencer, J.
Deposit date:2012-04-18
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
4EUZ
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BU of 4euz by Molmil
Crystal structure of serratia fonticola carbapenemase SFC-1 S70A-Meropenem complex
Descriptor: (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, Carbapenem-hydrolizing beta-lactamase SFC-1, ...
Authors:Fonseca, F, Spencer, J.
Deposit date:2012-04-25
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:The basis for carbapenem hydrolysis by class A beta-lactamases: a combined investigation using crystallography and simulations.
J.Am.Chem.Soc., 134, 2012
4MUV
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BU of 4muv by Molmil
M. loti cyclic-nucleotide binding domain mutant displaying inverted ligand selectivity, cyclic-GMP bound
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated potassium channel mll3241, SODIUM ION
Authors:Fonseca, F, Pessoa, J, Morais-Cabral, J.H.
Deposit date:2013-09-23
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Determinants of ligand selectivity in a cyclic nucleotide-regulated potassium channel.
J.Gen.Physiol., 144, 2014
6S5C
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BU of 6s5c by Molmil
Square conformation of KtrA WT ring with bound ATP and calcium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-01
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S5N
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BU of 6s5n by Molmil
Non-square conformations of KtrA E125Q mutant rings with bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-02
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.09 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S5O
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BU of 6s5o by Molmil
Non-square conformations of KtrA E125Q mutant rings with bound ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-02
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.983 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S2J
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BU of 6s2j by Molmil
Square conformation of KtrA R16K mutant ring with bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, MAGNESIUM ION
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-06-21
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S5B
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BU of 6s5b by Molmil
Non-square conformation of KtrA R16K mutant ring with bound ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-01
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.052 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S7R
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BU of 6s7r by Molmil
Non-square conformations of KtrA R16A mutant rings with bound ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-05
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.73 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S5D
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BU of 6s5d by Molmil
Square conformation of KtrA R16A mutant ring with bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A, MAGNESIUM ION
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-01
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.393 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S5G
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BU of 6s5g by Molmil
Non-square conformation of KtrA A80P mutant ring with bound ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-01
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4.33 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6S5E
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BU of 6s5e by Molmil
Non-square conformation of KtrA A80P mutant ring with bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Ktr system potassium uptake protein A
Authors:Teixeira-Duarte, C.M, Fonseca, F, Morais-Cabral, J.H.
Deposit date:2019-07-01
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.893 Å)
Cite:Activation of a nucleotide-dependent RCK domain requires binding of a cation cofactor to a conserved site.
Elife, 8, 2019
6DMH
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BU of 6dmh by Molmil
A multiconformer ligand model of acylenzyme intermediate of meropenem bound to an SFC-1 E166A mutant
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, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H.
Deposit date:2018-06-05
Release date:2018-12-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
5FG8
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BU of 5fg8 by Molmil
Drosophila CaMKII-wt in complex with a fragment of the Eag potassium channel and Mg2+/ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II alpha chain, GLYCEROL, ...
Authors:Castro-Rodrigues, A.F, Morais-Cabral, J.H.
Deposit date:2015-12-20
Release date:2016-12-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.955 Å)
Cite:The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase.
J.Mol.Biol., 430, 2018
5HU3
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BU of 5hu3 by Molmil
Drosophila CaMKII-D136N in complex with a phosphorylated fragment of the Eag potassium channel and Mg2+/ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II alpha chain, MAGNESIUM ION, ...
Authors:Castro-Rodrigues, A.F, Morais-Cabral, J.H.
Deposit date:2016-01-27
Release date:2017-02-01
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (1.885 Å)
Cite:The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase.
J.Mol.Biol., 430, 2018
5H9B
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BU of 5h9b by Molmil
Drosophila CaMKII-wt in complex with a fragment of the Eag potassium channel and Mg2+/AMPPN
Descriptor: AMP PHOSPHORAMIDATE, Calcium/calmodulin-dependent protein kinase II, isoform C, ...
Authors:Castro-Rodrigues, A.F, Morais-Cabral, J.H.
Deposit date:2015-12-27
Release date:2017-01-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The Interaction between the Drosophila EAG Potassium Channel and the Protein Kinase CaMKII Involves an Extensive Interface at the Active Site of the Kinase.
J.Mol.Biol., 430, 2018

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