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1NPJ
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BU of 1npj by Molmil
Crystal structure of H145A mutant of nitrite reductase from Alcaligenes faecalis
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W.
Deposit date:2003-01-18
Release date:2003-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reconstitution of the type-1 active site of the H145G/A variants of nitrite reductase by ligand insertion
Biochemistry, 42, 2003
1NPN
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BU of 1npn by Molmil
Crystal structure of a copper reconstituted H145A mutant of nitrite reductase from Alcaligenes faecalis
Descriptor: CHLORIDE ION, COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, Boulanger, M.J, Molon, A, Fittipaldi, M, Huber, M, Murphy, M.E, Verbeet, M.P, Canters, G.W.
Deposit date:2003-01-18
Release date:2003-04-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Reconstitution of the type-1 active site of the 145G/A variants of Nitrite Reductase by ligand insertion
Biochemistry, 42, 2003
1ZDS
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BU of 1zds by Molmil
Crystal Structure of Met150Gly AfNiR with Acetamide Bound
Descriptor: ACETAMIDE, COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P.
Deposit date:2005-04-14
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase.
J.Mol.Biol., 358, 2006
1ZDQ
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BU of 1zdq by Molmil
Crystal Structure of Met150Gly AfNiR with Methylsulfanyl Methane Bound
Descriptor: (METHYLSULFANYL)METHANE, COPPER (II) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, MacPherson, I.S, Alexandre, M, Diederix, R.E.M, Canters, G.W, Murphy, M.E.P, Verbeet, M.P.
Deposit date:2005-04-14
Release date:2006-03-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A rearranging ligand enables allosteric control of catalytic activity in copper-containing nitrite reductase.
J.Mol.Biol., 358, 2006
2B08
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BU of 2b08 by Molmil
Reduced acetamide-bound M150G Nitrite Reductase from Alcaligenes faecalis
Descriptor: ACETAMIDE, COPPER (I) ION, Copper-containing nitrite reductase
Authors:Wijma, H.J, MacPherson, I.S, Farver, O, Tocheva, E.I, Pecht, I, Verbeet, M.Ph, Murphy, M.E.P, Canters, G.W.
Deposit date:2005-09-13
Release date:2006-09-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite reductase.
J.Am.Chem.Soc., 129, 2007
5AC3
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BU of 5ac3 by Molmil
Crystal structure of PAM12A
Descriptor: ACETIC ACID, CADMIUM ION, PEPTIDE AMIDASE
Authors:Wu, B, Wijma, H.J, Song, L, Rozeboom, H.J, Poloni, C, Tian, Y, Arif, M.I, Nuijens, T, Quadflieg, P.J.L.M, Szymanski, W, Feringa, B.L, Janssen, D.B.
Deposit date:2015-08-11
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Versatile Peptide C-Terminal Functionalization Via a Computationally Peptide Amidase
Acs Catalysis, 2016
4R9L
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BU of 4r9l by Molmil
Structure of a thermostable elevenfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis, containing two stabilizing disulfide bonds
Descriptor: (2R)-2-hydroxyhexanamide, Limonene-1,2-epoxide hydrolase
Authors:Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B.
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic validation of structure predictions used in computational design for protein stabilization.
Proteins, 83, 2015
4AO9
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BU of 4ao9 by Molmil
Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus
Descriptor: BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE
Authors:Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B.
Deposit date:2012-03-25
Release date:2012-10-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical Properties and Crystal Structure of a Novel Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus
Appl.Environ.Microbiol., 79, 2013
4AOA
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BU of 4aoa by Molmil
Biochemical properties and crystal structure of a novel beta- phenylalanine aminotransferase from Variovorax paradoxus
Descriptor: 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, BETA-PHENYLALANINE AMINOTRANSFERASE, GLYCEROL
Authors:Crismaru, C.G, Wybenga, G.G, Szymanski, W, Wijma, H.J, Wu, B, deWildeman, S, Poelarends, G.J, Dijkstra, B.W, Janssen, D.B.
Deposit date:2012-03-25
Release date:2012-10-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Biochemical Properties and Crystal Structure of a Beta-Phenylalanine Aminotransferase from Variovorax Paradoxus.
Appl.Environ.Microbiol., 79, 2013
4R9K
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BU of 4r9k by Molmil
Structure of thermostable eightfold mutant of limonene epoxide hydrolase from Rhodococcus erythropolis
Descriptor: (2R)-2-hydroxyhexanamide, GLYCEROL, Limonene-1,2-epoxide hydrolase
Authors:Floor, R.J, Wijma, H.J, Jekel, P.A, Terwisscha van Scheltinga, A.C, Dijkstra, B.W, Janssen, D.B.
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray crystallographic validation of structure predictions used in computational design for protein stabilization.
Proteins, 83, 2015
4IXT
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BU of 4ixt by Molmil
Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) bound to ethyl (R)-4-cyano-3-hydroxybutyrate
Descriptor: CHLORIDE ION, Halohydrin dehalogenase, ethyl (3R)-4-cyano-3-hydroxybutanoate
Authors:Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
Deposit date:2013-01-28
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4IXW
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BU of 4ixw by Molmil
Halohydrin dehalogenase (HheC) bound to ethyl (2S)-oxiran-2-ylacetate
Descriptor: CHLORIDE ION, Halohydrin dehalogenase, ethyl (2S)-oxiran-2-ylacetate
Authors:Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
Deposit date:2013-01-28
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
4IY1
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BU of 4iy1 by Molmil
Structure of a 37-fold mutant of halohydrin dehalogenase (HheC) with chloride bound
Descriptor: CHLORIDE ION, Halohydrin dehalogenase
Authors:Floor, R.J, Schallmey, M, Hauer, B, Breuer, M, Jekel, P.A, Wijma, H.J, Dijkstra, B.W, Janssen, D.B.
Deposit date:2013-01-28
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biocatalytic and structural properties of a highly engineered halohydrin dehalogenase.
Chembiochem, 14, 2013
2FJS
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BU of 2fjs by Molmil
Crystal Structure of Anaerobically Reduced Wild Type Nitrite Reductase from A. faecalis
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, COPPER (I) ION, ...
Authors:Tocheva, E.I, Murphy, M.E.P.
Deposit date:2006-01-03
Release date:2006-11-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Effect of the methionine ligand on the reorganization energy of the type-1 copper site of nitrite reductase.
J.Am.Chem.Soc., 129, 2007
5OX2
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BU of 5ox2 by Molmil
Crystal structure of thymoligase, a substrate-tailored peptiligase variant
Descriptor: Fragment of prodomain, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2017-09-05
Release date:2018-01-10
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Design of a substrate-tailored peptiligase variant for the efficient synthesis of thymosin-alpha1.
Org. Biomol. Chem., 16, 2018
6YRA
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BU of 6yra by Molmil
Crystal structure of ATP-dependent caprolactamase from Pseudomonas jessenii
Descriptor: 5-oxoprolinase, Hydantoinase, ZINC ION
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2020-04-20
Release date:2021-04-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (4 Å)
Cite:Catalytic and structural properties of ATP-dependent caprolactamase from Pseudomonas jessenii.
Proteins, 89, 2021
8Q5E
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BU of 8q5e by Molmil
Crystal structure of PpSB1-LOV protein from Pseudomonas putida with covalent FMN
Descriptor: FLAVIN MONONUCLEOTIDE, NICKEL (II) ION, Sensory box protein
Authors:Rozeboom, H.J, Fraaije, M.W.
Deposit date:2023-08-09
Release date:2023-11-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Fixing Flavins: Hijacking a Flavin Transferase for Equipping Flavoproteins with a Covalent Flavin Cofactor.
J.Am.Chem.Soc., 145, 2023
8Q5F
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BU of 8q5f by Molmil
Crystal structure of miniSOG protein from Arabidopsis thaliana with covalent FMN
Descriptor: FLAVIN MONONUCLEOTIDE, miniSOG
Authors:Rozeboom, H.J, Fraaije, M.W.
Deposit date:2023-08-09
Release date:2023-11-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fixing Flavins: Hijacking a Flavin Transferase for Equipping Flavoproteins with a Covalent Flavin Cofactor.
J.Am.Chem.Soc., 145, 2023
8Q5G
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BU of 8q5g by Molmil
Crystal structure of nitroreductase from Bacillus tequilensis with covalent FMN
Descriptor: FLAVIN MONONUCLEOTIDE, NAD(P)H-dependent oxidoreductase
Authors:Rozeboom, H.J, Fraaije, M.W.
Deposit date:2023-08-09
Release date:2023-11-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fixing Flavins: Hijacking a Flavin Transferase for Equipping Flavoproteins with a Covalent Flavin Cofactor.
J.Am.Chem.Soc., 145, 2023
8ABR
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BU of 8abr by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with putative ligands hexanoic acid and octanoic acid
Descriptor: Cytochrome P450, HEME B/C, HEXANOIC ACID, ...
Authors:Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
8ABS
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BU of 8abs by Molmil
Crystal structure of CYP109A2 from Bacillus megaterium bound with testosterone and putative ligand 4,6-dimethyloctanoic acid
Descriptor: (4~{S},6~{S})-4,6-dimethyloctanoic acid, Cytochrome P450, HEME B/C, ...
Authors:Jozwik, I.K, Rozeboom, H.J, Thunnissen, A.-M.W.H.
Deposit date:2022-07-04
Release date:2023-07-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Regio- and stereoselective steroid hydroxylation by CYP109A2 from Bacillus megaterium explored by X-ray crystallography and computational modeling.
Febs J., 290, 2023
8S1J
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BU of 8s1j by Molmil
Crystal structure of t-anethole oxygenase from Stenotrophomonas maltophilia
Descriptor: CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Rozeboom, H.J, Fraaije, M.W.
Deposit date:2024-02-15
Release date:2024-08-14
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of a new class of bacterial heme-containing CC cleaving oxygenases.
N Biotechnol, 83, 2024
8QYG
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BU of 8qyg by Molmil
Crystal structure of Nitroreductase from Bacillus tequilensis
Descriptor: CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Rozeboom, H.J, Russo, S, Fraaije, M.W, Poelarends, G.J.
Deposit date:2023-10-26
Release date:2024-05-08
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Biochemical, kinetic, and structural characterization of a Bacillus tequilensis nitroreductase.
Febs J., 2024
6TB0
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BU of 6tb0 by Molmil
Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2019-10-31
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
6TB1
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BU of 6tb1 by Molmil
Crystal structure of thermostable omega transaminase 6-fold mutant from Pseudomonas jessenii
Descriptor: Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B.
Deposit date:2019-10-31
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020

 

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