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7RYA
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BU of 7rya by Molmil
S. CEREVISIAE CYP51 I471T MUTANT COMPLEXED WITH ITRACONAZOLE
Descriptor: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7RY9
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BU of 7ry9 by Molmil
S. CEREVISIAE CYP51 I471T mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, TETRAETHYLENE GLYCOL, ...
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7RY8
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BU of 7ry8 by Molmil
S. CEREVISIAE CYP51 Y140H mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PENTAETHYLENE GLYCOL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7RYB
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BU of 7ryb by Molmil
S. CEREVISIAE CYP51 Y140H/I471T - double mutant COMPLEXED WITH Voriconazole
Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, Voriconazole
Authors:Graham, D.O, Wilson, R.K, Ruma, Y.N, Keniya, M.V, Tyndall, J.D, Monk, B.C.
Deposit date:2021-08-24
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Azole Resistance of the Candida albicans Darlington Strain Using Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase as a Surrogate.
J Fungi (Basel), 7, 2021
7ZBO
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BU of 7zbo by Molmil
Amine Dehydrogenase MATOUAmDH2 in complex with NADP+
Descriptor: Amine Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, M, Ducrot, L, Vergne-Vaxelaire, C, Grogan, G.
Deposit date:2022-03-24
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
2MQ8
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BU of 2mq8 by Molmil
Solution NMR Structure of De novo designed protein LFR1 1 with ferredoxin fold, Northeast Structural Genomics Consortium (NESG) Target OR414
Descriptor: De novo designed protein LFR1
Authors:Liu, G, Lin, Y, Koga, N, Koga, R, Xiao, R, Janjua, H, Pederson, K, Acton, T.B, Kornhaber, G, Everett, J.K, Baker, D, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-06-12
Release date:2014-08-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Control over overall shape and size in de novo designed proteins.
Proc.Natl.Acad.Sci.USA, 112, 2015
6EON
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BU of 6eon by Molmil
Galactanase BT0290
Descriptor: Beta-galactosidase, CALCIUM ION, alpha-D-galactopyranose
Authors:Basle, A, Munoz, J, Gilbert, H.
Deposit date:2017-10-10
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
Descriptor: DE NOVO DESIGNED OR386
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-06-12
Release date:2020-08-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
6EUI
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BU of 6eui by Molmil
The GH43, Beta 1,3 Galactosidase, BT3683 with galactose
Descriptor: Beta-glucanase, CALCIUM ION, beta-D-galactopyranose
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
6EUJ
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BU of 6euj by Molmil
The GH43, Beta 1,3 Galactosidase, BT0265
Descriptor: Beta-glucanase
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
6EUF
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BU of 6euf by Molmil
The GH43, Beta 1,3 Galactosidase, BT0265
Descriptor: Beta-glucanase, alpha-L-arabinofuranose-(1-3)-[alpha-L-arabinofuranose-(1-4)][beta-D-glucopyranuronic acid-(1-6)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose, alpha-L-rhamnopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-6)-[alpha-L-arabinofuranose-(1-3)][alpha-L-arabinofuranose-(1-4)]beta-D-galactopyranose-(1-6)-beta-D-galactopyranose
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
6EUH
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BU of 6euh by Molmil
The GH43, Beta 1,3 Galactosidase, BT3683 with galactodeoxynojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-glucanase, CALCIUM ION
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
6EUG
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BU of 6eug by Molmil
The GH43, Beta 1,3 Galactosidase, BT3683 with galactoimidazole
Descriptor: Beta-glucanase, GLUCOIMIDAZOLE
Authors:Cartmell, A, Gilbert, H.J.
Deposit date:2017-10-30
Release date:2018-10-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:A surface endogalactanase in Bacteroides thetaiotaomicron confers keystone status for arabinogalactan degradation.
Nat Microbiol, 3, 2018
5T47
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BU of 5t47 by Molmil
Crystal structure of the D. melanogaster eIF4E-eIF4G complex
Descriptor: Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4G, isoform A, ...
Authors:Gruener, S, Peter, D, Weber, R, Wohlbold, L, Chung, M.-Y, Weichenrieder, O, Valkov, E, Igreja, C, Izaurralde, E.
Deposit date:2016-08-29
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structures of eIF4E-eIF4G Complexes Reveal an Extended Interface to Regulate Translation Initiation.
Mol.Cell, 64, 2016
5T48
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BU of 5t48 by Molmil
Crystal structure of the D. melanogaster eIF4E-eIF4G complex without lateral contact
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E, Eukaryotic translation initiation factor 4G, ...
Authors:Gruener, S, Peter, D, Weber, R, Wohlbold, L, Chung, M.-Y, Weichenrieder, O, Valkov, E, Igreja, C, Izaurralde, E.
Deposit date:2016-08-29
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Structures of eIF4E-eIF4G Complexes Reveal an Extended Interface to Regulate Translation Initiation.
Mol.Cell, 64, 2016
8AV5
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BU of 8av5 by Molmil
Glycosylated PaDa-I mutant of Unspecific Peroxygenase from Agrocybe aegerita
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Mielke, T.F, Grogan, G.
Deposit date:2022-08-26
Release date:2023-08-02
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Glycosylated PaDa-I mutant of Unspecific Peroxygenase from Agrocybe aegerita
To Be Published
7ZNM
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BU of 7znm by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 2.01 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Artificial Unspecific Peroxygenase, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-21
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNV
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BU of 7znv by Molmil
Artificial Unspecific Peroxygenase expressed in Pichia pastoris at 1.21 Angstrom resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ...
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
7ZNW
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BU of 7znw by Molmil
Artificial Unspecific Peroxygenase expressed in Escherichia coli at 2.09 Angstrom resolution
Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, artificial unspecific peoxygenase
Authors:Robinson, W.X.Q, Mielke, T, Grogan, G.
Deposit date:2022-04-22
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Comparing the Catalytic and Structural Characteristics of a 'Short' Unspecific Peroxygenase (UPO) Expressed in Pichia pastoris and Escherichia coli.
Chembiochem, 24, 2023
8A3X
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BU of 8a3x by Molmil
Imine Reductase from Ensifer adhaerens in complex with NADP+
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein, POTASSIUM ION
Authors:Gilio, A.K, Grogan, G.
Deposit date:2022-06-09
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Acs Catalysis, 13, 2023
8A5Z
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BU of 8a5z by Molmil
Imine Reductase from Ensifer adhaerens A208N mutant in complex with NADP+
Descriptor: IODIDE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NAD_binding_2 domain-containing protein
Authors:Gilio, A.K, Grogan, G.
Deposit date:2022-06-16
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A Reductive Aminase Switches to Imine Reductase Mode for a Bulky Amine Substrate.
Acs Catalysis, 13, 2023
1GV5
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BU of 1gv5 by Molmil
CRYSTAL STRUCTURE OF C-MYB R2
Descriptor: MYB PROTO-ONCOGENE PROTEIN, SODIUM ION
Authors:Tahirov, T.H, Ogata, K.
Deposit date:2002-02-06
Release date:2003-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal Structure of C-Myb DNA-Binding Domain: Specific Na+ Binding and Correlation with NMR Structure
To be Published
6ZBI
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BU of 6zbi by Molmil
Ternary complex of Calmodulin bound to 2 molecules of NHE1
Descriptor: CALCIUM ION, Calmodulin-1, Sodium/hydrogen exchanger 1
Authors:Prestel, A, Kragelund, B.B, Pedersen, E.S, Pedersen, S.F, Sjoegaard-Frich, L.M.
Deposit date:2020-06-08
Release date:2021-03-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dynamic Na + /H + exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca 2+ -dependent NHE1 activation.
Elife, 10, 2021
1GVD
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BU of 1gvd by Molmil
CRYSTAL STRUCTURE OF C-MYB R2 V103L MUTANT
Descriptor: AMMONIUM ION, MYB PROTO-ONCOGENE PROTEIN, SULFATE ION
Authors:Tahirov, T.H, Ogata, K.
Deposit date:2002-02-08
Release date:2003-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal Structure of C-Myb DNA-Binding Domain: Specific Na+ Binding and Correlation with NMR Structure
To be Published
8QHC
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BU of 8qhc by Molmil
Cryo-EM structure of SidH from Legionella pneumophila in complex with LubX
Descriptor: E3 ubiquitin--protein ligase, Elongation factor Tu, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Sharma, R, Adams, M, Bhogaraju, S.
Deposit date:2023-09-07
Release date:2023-10-11
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for the toxicity of Legionella pneumophila effector SidH.
Nat Commun, 14, 2023

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