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2EDA
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BU of 2eda by Molmil
CRYSTALLOGRAPHIC AND FLUORESCENCE STUDIES OF THE INTERACTION OF HALOALKANE DEHALOGENASE WITH HALIDE IONS: STUDIES WITH HALIDE COMPOUNDS REVEAL A HALIDE BINDING SITE IN THE ACTIVE SITE
Descriptor: HALOALKANE DEHALOGENASE, IODIDE ION
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-08-30
Release date:1993-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystallographic and fluorescence studies of the interaction of haloalkane dehalogenase with halide ions. Studies with halide compounds reveal a halide binding site in the active site.
Biochemistry, 32, 1993
1HDE
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BU of 1hde by Molmil
HALOALKANE DEHALOGENASE MUTANT WITH PHE 172 REPLACED WITH TRP
Descriptor: HALOALKANE DEHALOGENASE
Authors:Ridder, I.S, Kalk, K.H, Dijkstra, B.W.
Deposit date:1996-08-08
Release date:1997-02-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Kinetic characterization and X-ray structure of a mutant of haloalkane dehalogenase with higher catalytic activity and modified substrate range.
Biochemistry, 35, 1996
1EDB
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BU of 1edb by Molmil
CRYSTALLOGRAPHIC AND FLUORESCENCE STUDIES OF THE INTERACTION OF HALOALKANE DEHALOGENASE WITH HALIDE IONS: STUDIES WITH HALIDE COMPOUNDS REVEAL A HALIDE BINDING SITE IN THE ACTIVE SITE
Descriptor: CHLORIDE ION, HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Dijkstra, B.W.
Deposit date:1993-05-13
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystallographic and fluorescence studies of the interaction of haloalkane dehalogenase with halide ions. Studies with halide compounds reveal a halide binding site in the active site.
Biochemistry, 32, 1993
7AM3
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BU of 7am3 by Molmil
Crystal structure of Peptiligase mutant - M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM6
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BU of 7am6 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, LEU-PRO-GLU-GLY-SER-PRO-VAL-THR-ASP-LEU-ARG-TYR, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM8
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BU of 7am8 by Molmil
Crystal structure of Omniligase mutant W189F
Descriptor: ACRYLIC ACID, CHLORIDE ION, HISTIDINE, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM4
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BU of 7am4 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P
Descriptor: GLYCEROL, SULFATE ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM5
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BU of 7am5 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N
Descriptor: SODIUM ION, Subtilisin BPN'
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7AM7
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BU of 7am7 by Molmil
Crystal structure of Peptiligase mutant - M222P/L217H/A225N/F189W/N218D
Descriptor: Eglin C fragment, GLYCEROL, SULFATE ION, ...
Authors:Rozeboom, H.J, Janssen, D.J.
Deposit date:2020-10-08
Release date:2021-02-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
4ZI5
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BU of 4zi5 by Molmil
Crystal Structure of Dienelactone Hydrolase-like Promiscuous Phospotriesterase P91 from Metagenomic Libraries
Descriptor: CHLORIDE ION, MAGNESIUM ION, P91
Authors:Colin, P.-Y, Fischer, G, Hyvonen, M, Hollfelder, F.
Deposit date:2015-04-27
Release date:2016-02-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.702 Å)
Cite:Ultrahigh-throughput discovery of promiscuous enzymes by picodroplet functional metagenomics.
Nat Commun, 6, 2015
2HAD
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BU of 2had by Molmil
CRYSTAL STRUCTURE OF HALOALKANE DEHALOGENASE: AN ENZYME TO DETOXIFY HALOGENATED ALKANES
Descriptor: HALOALKANE DEHALOGENASE
Authors:Verschueren, K.H.G, Franken, S.M, Dijkstra, B.W.
Deposit date:1992-08-07
Release date:1993-01-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of haloalkane dehalogenase: an enzyme to detoxify halogenated alkanes.
EMBO J., 10, 1991
1QQ7
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BU of 1qq7 by Molmil
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS WITH CHLOROPROPIONIC ACID COVALENTLY BOUND
Descriptor: CHLORIDE ION, PROTEIN (L-2-HALOACID DEHALOGENASE)
Authors:Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1999-06-11
Release date:1999-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of intermediates in the dehalogenation of haloalkanoates by L-2-haloacid dehalogenase.
J.Biol.Chem., 274, 1999
1QQ6
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BU of 1qq6 by Molmil
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS WITH CHLOROACETIC ACID COVALENTLY BOUND
Descriptor: CHLORIDE ION, PROTEIN (L-2-HALOACID DEHALOGENASE)
Authors:Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1999-06-11
Release date:1999-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of intermediates in the dehalogenation of haloalkanoates by L-2-haloacid dehalogenase.
J.Biol.Chem., 274, 1999
1QQ5
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BU of 1qq5 by Molmil
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS
Descriptor: FORMIC ACID, PROTEIN (L-2-HALOACID DEHALOGENASE)
Authors:Ridder, I.S, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1999-06-10
Release date:1999-10-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal structures of intermediates in the dehalogenation of haloalkanoates by L-2-haloacid dehalogenase.
J.Biol.Chem., 274, 1999
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
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
1JX9
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BU of 1jx9 by Molmil
Penicillin Acylase, mutant
Descriptor: CALCIUM ION, penicillin G acylase alpha subunit, penicillin G acylase beta subunit
Authors:Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W.
Deposit date:2001-09-06
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
1K5Q
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BU of 1k5q by Molmil
PENICILLIN ACYLASE, MUTANT COMPLEXED WITH PAA
Descriptor: 2-PHENYLACETIC ACID, CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, ...
Authors:Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W.
Deposit date:2001-10-12
Release date:2003-09-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
1K5S
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BU of 1k5s by Molmil
PENICILLIN ACYLASE, MUTANT COMPLEXED WITH PPA
Descriptor: CALCIUM ION, PENICILLIN G ACYLASE ALPHA SUBUNIT, PENICILLIN G ACYLASE BETA SUBUNIT, ...
Authors:Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W.
Deposit date:2001-10-12
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
1K7D
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BU of 1k7d by Molmil
Penicillin Acylase with Phenyl Proprionic Acid
Descriptor: CALCIUM ION, Penicillin Acylase alpha subunit, R-2-PHENYL-PROPRIONIC ACID, ...
Authors:Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W.
Deposit date:2001-10-19
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
1KEC
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BU of 1kec by Molmil
PENICILLIN ACYLASE MUTANT WITH PHENYL PROPRIONIC ACID
Descriptor: CALCIUM ION, PENICILLIN ACYLASE ALPHA SUBUNIT, PENICILLIN ACYLASE BETA SUBUNIT, ...
Authors:Hensgens, C.M.H, Keizer, E, Snijder, H.J, Dijkstra, B.W.
Deposit date:2001-11-15
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic studies on ligand binding in wild-type and active-site mutants of penicillin acylase.
Protein Eng.Des.Sel., 17, 2004
6TO2
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BU of 6to2 by Molmil
Crystal structure of CYP154C5 from Nocardia farcinica in complex with 5alpha-Androstan-3-one
Descriptor: (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, CHLORIDE ION, Cytochrome P450 monooxygenase, ...
Authors:Rodriguez, A, Kluenemann, T, Blankenfeldt, W, Schallmey, A.
Deposit date:2019-12-11
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:CYP154C5 Regioselectivity in Steroid Hydroxylation Explored by Substrate Modifications and Protein Engineering*.
Chembiochem, 22, 2021
3A2M
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BU of 3a2m by Molmil
CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3A2L
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BU of 3a2l by Molmil
Crystal structure of DBJA (mutant dbja delta)
Descriptor: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
Authors:Sato, Y, Senda, T.
Deposit date:2009-05-23
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010
3AFI
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BU of 3afi by Molmil
Crystal structure of DBJA (HIS-DBJA)
Descriptor: CHLORIDE ION, Haloalkane dehalogenase
Authors:Sato, Y, Senda, T.
Deposit date:2010-03-02
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enantioselectivity of haloalkane dehalogenases and its modulation by surface loop engineering
Angew.Chem.Int.Ed.Engl., 49, 2010

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