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5LPC
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BU of 5lpc by Molmil
Crystal structure of Vanadium-dependent Haloperoxidase from A. marina
Descriptor: PHOSPHATE ION, Vanadium-dependent bromoperoxidase
Authors:Frank, A, Groll, M.
Deposit date:2016-08-12
Release date:2016-08-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Characterization of a Cyanobacterial Haloperoxidase and Evaluation of its Biocatalytic Halogenation Potential.
Chembiochem, 17, 2016
4ALB
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BU of 4alb by Molmil
Structure of Phenolic Acid Decarboxylase from Bacillus subtilis: Tyr19Ala mutant in complex with coumaric acid
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHENOLIC ACID DECARBOXYLASE PADC
Authors:Frank, A, Eborall, W, Hyde, R, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2012-03-02
Release date:2012-08-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Mutational Analysis of Phenolic Acid Decarboxylase from Bacillus Subtilis (Bspad), which Converts Bio-Derived Phenolic Acids to Styrene Derivatives
Catal.Sci.Technol., 2, 2012
3ZDN
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BU of 3zdn by Molmil
D11-C mutant of monoamine oxidase from Aspergillus niger
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N
Authors:Frank, A, Ghislieri, D, Willies, S, Turner, N.J, Grogan, G.
Deposit date:2012-11-29
Release date:2013-10-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Engineering an Enantioselective Amine Oxidase for the Synthesis of Pharmaceutical Building Blocks and Alkaloid Natural Products.
J.Am.Chem.Soc., 135, 2013
5YVS
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BU of 5yvs by Molmil
Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NADP
Descriptor: MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase
Authors:Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
Deposit date:2017-11-27
Release date:2017-12-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.345 Å)
Cite:Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
6LU1
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BU of 6lu1 by Molmil
Cyanobacterial PSI Monomer from T. elongatus by Single Particle CRYO-EM at 3.2 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Kurisu, G, Coruh, O, Tanaka, H, Gerle, C, Kawamoto, A, Kato, T, Namba, K, Nowaczyk, M.M, Rogner, M, Misumi, Y, Frank, A, Eithar, E.M.
Deposit date:2020-01-24
Release date:2021-03-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of a functional monomeric Photosystem I from Thermosynechococcus elongatus reveals red chlorophyll cluster.
Commun Biol, 4, 2021
5MRN
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BU of 5mrn by Molmil
Arabidopsis thaliana IspD Glu258Ala Mutant
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRQ
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BU of 5mrq by Molmil
Arabidopsis thaliana IspD Asp262Ala Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
4S39
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BU of 4s39 by Molmil
IspG in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3C
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BU of 4s3c by Molmil
IspG in complex with Epoxide Intermediate
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-05-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3E
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BU of 4s3e by Molmil
IspG in complex with Inhibitor 7 (compound 1061)
Descriptor: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3B
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BU of 4s3b by Molmil
IspG in complex with Intermediate II
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S38
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BU of 4s38 by Molmil
IspG in complex MEcPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3D
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BU of 4s3d by Molmil
IspG in complex with PPi
Descriptor: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, DIPHOSPHATE, FE3-S4 CLUSTER
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3F
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BU of 4s3f by Molmil
IspG in complex with Inhibitor 8 (compound 1077)
Descriptor: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, FE3-S4 CLUSTER, but-3-yn-1-yl trihydrogen diphosphate
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3A
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BU of 4s3a by Molmil
IspG in complex with Intermediate I
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-05-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
5MRP
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BU of 5mrp by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (2)
Descriptor: 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, 5-chloro-7-hydroxy-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRM
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BU of 5mrm by Molmil
Arabidopsis thaliana IspD in complex with Isoxazole (4)
Descriptor: 2,4-bis(bromanyl)-6-[3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5MRO
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BU of 5mro by Molmil
Arabidopsis thaliana IspD Glu258Ala mutant in complex with Azolopyrimidine (1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ...
Authors:Schwab, A, Illarionov, B, Frank, A, Kunfermann, A, Seet, M, Bacher, A, Witschel, M, Fischer, M, Groll, M, Diederich, F.
Deposit date:2016-12-23
Release date:2017-07-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of Allosteric Inhibition of the Enzyme IspD by Three Different Classes of Ligands.
ACS Chem. Biol., 12, 2017
5YVR
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BU of 5yvr by Molmil
Crystal Structure of the H277A mutant of ADH/D1, an archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase
Descriptor: MANGANESE (II) ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, alcohol dehydrogenase
Authors:Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
Deposit date:2017-11-27
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
5YVM
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BU of 5yvm by Molmil
Crystal Structure of the archaeal halo-thermophilic Red Sea brine pool alcohol dehydrogenase ADH/D1 bound to NZQ
Descriptor: 5,6-DIHYDROXY-NADP, MANGANESE (II) ION, alcohol dehydrogenase
Authors:Groetzinger, S.W, Strillinger, E, Frank, A, Eppinger, J, Groll, M, Arold, S.T.
Deposit date:2017-11-26
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Identification and Experimental Characterization of an Extremophilic Brine Pool Alcohol Dehydrogenase from Single Amplified Genomes
ACS Chem. Biol., 13, 2018
4CPD
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BU of 4cpd by Molmil
Alcohol dehydrogenase TADH from Thermus sp. ATN1
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Man, H, Gargulio, S, Frank, A, Hollmann, F, Grogan, G.
Deposit date:2014-02-05
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structure of the Nadh-Dependent Thermostable Alcohol Dehydrogenase Tadh from Thermus Sp. Atn1 Provides a Platform for Engineering Specificity and Improved Compatibility with Inorganic Cofactor-Regeneration Catalysts
J.Mol.Catal., B Enzym., 105, 2014
4CY8
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BU of 4cy8 by Molmil
2-hydroxybiphenyl 3-monooxygenase (HbpA) in complex with FAD
Descriptor: 2-HYDROXYBIPHENYL 3-MONOOXYGENASE, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-04-10
Release date:2015-03-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of the Apo and Fad-Bound Forms of 2-Hydroxybiphenyl 3-Monooxygenase (Hbpa) Locate Activity Hotspots Identified by Using Directed Evolution.
Chembiochem, 16, 2015
4CY6
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BU of 4cy6 by Molmil
apo structure of 2-hydroxybiphenyl 3-monooxygenase HbpA
Descriptor: 2-HYDROXYBIPHENYL-3-MONOOXYGENASE
Authors:Jensen, C.N, Farrugia, J.E, Frank, A, Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-04-10
Release date:2015-03-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structures of the Apo and Fad-Bound Forms of 2-Hydroxybiphenyl 3-Monooxygenase (Hbpa) Locate Activity Hotspots Identified by Using Directed Evolution.
Chembiochem, 16, 2015
3ZGY
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BU of 3zgy by Molmil
Apo-structure of R-selective imine reductase from Streptomyces kanamyceticus
Descriptor: R-IMINE REDUCTASE
Authors:Rodriguez Mata, M, Frank, A, Grogan, G.
Deposit date:2012-12-19
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structure and Activity of Nadph-Dependent Reductase Q1Eqe0 from Streptomyces Kanamyceticus, which Catalyses the R-Selective Reduction of an Imine Substrate.
Chembiochem, 14, 2013
3ZHB
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BU of 3zhb by Molmil
R-imine reductase from Streptomyces kanamyceticus in complex with NADP.
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, R-IMINE REDUCTASE
Authors:Rodriguez Mata, M, Frank, A, Grogan, G.
Deposit date:2012-12-20
Release date:2013-07-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Structure and Activity of Nadph-Dependent Reductase Q1Eqe0 from Streptomyces Kanamyceticus, which Catalyses the R-Selective Reduction of an Imine Substrate.
Chembiochem, 14, 2013

 

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