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6N3K
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BU of 6n3k by Molmil
Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1
Descriptor: Epoxide hydrolase, N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea
Authors:de Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S.
Deposit date:2018-11-15
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
6NY9
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Alpha/beta hydrolase domain-containing protein 10 from mouse
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Mycophenolic acid acyl-glucuronide esterase, mitochondrial, ...
Authors:Cao, Y, Rice, P.A, Dickinson, B.C.
Deposit date:2019-02-11
Release date:2020-01-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:ABHD10 is an S-depalmitoylase affecting redox homeostasis through peroxiredoxin-5.
Nat.Chem.Biol., 15, 2019
6PUX
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BU of 6pux by Molmil
Homoserine transacetylase MetX from Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
Authors:Chaton, C.T, Korotkov, K.V.
Deposit date:2019-07-18
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of mycobacterial homoserine transacetylases central to methionine biosynthesis reveals druggable active site.
Sci Rep, 9, 2019
6QKU
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BU of 6qku by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.511 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
1BEZ
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BU of 1bez by Molmil
HALOALKANE DEHALOGENASE MUTANT WITH TRP 175 REPLACED BY TYR AT PH 5
Descriptor: ACETIC ACID, HALOALKANE DEHALOGENASE
Authors:Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1998-05-18
Release date:1998-11-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
1BE0
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BU of 1be0 by Molmil
HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING ACETIC ACID
Descriptor: ACETATE ION, ACETIC ACID, HALOALKANE DEHALOGENASE
Authors:Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1998-05-18
Release date:1998-11-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
1B6G
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BU of 1b6g by Molmil
HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING CHLORIDE
Descriptor: CHLORIDE ION, GLYCEROL, HALOALKANE DEHALOGENASE, ...
Authors:Ridder, I.S, Rozeboom, H.J, Dijkstra, B.W.
Deposit date:1999-01-14
Release date:1999-07-13
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Haloalkane dehalogenase from Xanthobacter autotrophicus GJ10 refined at 1.15 A resolution.
Acta Crystallogr.,Sect.D, 55, 1999
1BRT
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BU of 1brt by Molmil
BROMOPEROXIDASE A2 MUTANT M99T
Descriptor: BROMOPEROXIDASE A2, CHLORIDE ION
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.H, Hecht, H.J.
Deposit date:1998-03-30
Release date:1998-06-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
1BN7
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HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Descriptor: ACETATE ION, HALOALKANE DEHALOGENASE
Authors:Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
Deposit date:1998-07-31
Release date:2000-02-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
1BN6
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BU of 1bn6 by Molmil
HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Descriptor: HALOALKANE DEHALOGENASE
Authors:Newman, J, Peat, T.S, Richard, R, Kan, L, Swanson, P.E, Affholter, J.A, Holmes, I.H, Schindler, J.F, Unkefer, C.J, Terwilliger, T.C.
Deposit date:1998-07-31
Release date:2000-02-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Haloalkane dehalogenases: structure of a Rhodococcus enzyme.
Biochemistry, 38, 1999
1A8S
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BU of 1a8s by Molmil
CHLOROPEROXIDASE F/PROPIONATE COMPLEX
Descriptor: CHLOROPEROXIDASE F, PROPANOIC ACID, SULFATE ION
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J.
Deposit date:1998-03-27
Release date:1998-06-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
1A88
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BU of 1a88 by Molmil
CHLOROPEROXIDASE L
Descriptor: CHLOROPEROXIDASE L
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J.
Deposit date:1998-04-03
Release date:1998-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
1A8Q
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BU of 1a8q by Molmil
BROMOPEROXIDASE A1
Descriptor: BROMOPEROXIDASE A1
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J.
Deposit date:1998-03-27
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
1A7U
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BU of 1a7u by Molmil
CHLOROPEROXIDASE T
Descriptor: CHLOROPEROXIDASE T
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J.
Deposit date:1998-03-17
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
1A8U
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BU of 1a8u by Molmil
CHLOROPEROXIDASE T/BENZOATE COMPLEX
Descriptor: BENZOIC ACID, CHLOROPEROXIDASE T, SULFATE ION
Authors:Hofmann, B, Toelzer, S, Pelletier, I, Altenbuchner, J, Van Pee, K.-H, Hecht, H.-J.
Deposit date:1998-03-26
Release date:1998-06-17
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural investigation of the cofactor-free chloroperoxidases.
J.Mol.Biol., 279, 1998
1AZW
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BU of 1azw by Molmil
PROLINE IMINOPEPTIDASE FROM XANTHOMONAS CAMPESTRIS PV. CITRI
Descriptor: PROLINE IMINOPEPTIDASE
Authors:Medrano, F.J, Alonso, J, Garcia, J.L, Romero, A, Bode, W, Gomis-Ruth, F.X.
Deposit date:1997-11-22
Release date:1999-01-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of proline iminopeptidase from Xanthomonas campestris pv. citri: a prototype for the prolyl oligopeptidase family.
EMBO J., 17, 1998
1BEE
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BU of 1bee by Molmil
HALOALKANE DEHALOGENASE MUTANT WITH TRP 175 REPLACED BY TYR
Descriptor: HALOALKANE DEHALOGENASE
Authors:Ridder, I.S, Vos, G.J, Rozeboom, H.J, Kalk, K.H, Dijkstra, B.W.
Deposit date:1998-05-13
Release date:1998-11-11
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Kinetic analysis and X-ray structure of haloalkane dehalogenase with a modified halide-binding site.
Biochemistry, 37, 1998
5K3D
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BU of 5k3d by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Apo - No Halide
Descriptor: Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5JZB
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BU of 5jzb by Molmil
Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide
Descriptor: 3,5-dichlorobenzene-1-sulfonamide, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, PHOSPHATE ION
Authors:Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
Deposit date:2016-05-16
Release date:2017-04-05
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
5K3C
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BU of 5k3c by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/5-Fluorotryptophan
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.541 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
5JZ9
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BU of 5jz9 by Molmil
Crystal structure of HsaD bound to 3,5-dichloro-4-hydroxybenzenesulphonic acid
Descriptor: 3,5-dichloro-4-hydroxybenzene-1-sulfonic acid, 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase
Authors:Ryan, A, Polycarpou, E, Lack, N.A, Evangelopoulos, D, Sieg, C, Halman, A, Bhakta, S, Sinclair, A, Eleftheriadou, O, McHugh, T.D, Keany, S, Lowe, E, Ballet, R, Abihammad, A, Ciulli, A, Sim, E.
Deposit date:2016-05-16
Release date:2017-04-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Investigation of the mycobacterial enzyme HsaD as a potential novel target for anti-tubercular agents using a fragment-based drug design approach.
Br. J. Pharmacol., 174, 2017
5K3F
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BU of 5k3f by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate - Cocrystallized - Single Protomer Reacted with Ligand
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase
Authors:Mehrabi, P, Kim, T.H, Prosser, S.R, Pai, E.F.
Deposit date:2016-05-19
Release date:2017-02-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:The role of dimer asymmetry and protomer dynamics in enzyme catalysis.
Science, 355, 2017
8EUO
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BU of 8euo by Molmil
Hydroxynitrile Lyase from Hevea brasiliensis with Seven Mutations
Descriptor: (S)-hydroxynitrile lyase
Authors:Greenberg, L.R, Walsh, M.E, Kazlauskas, R.J, Pierce, C.T, Shi, K, Aihara, H, Evans, R.L.
Deposit date:2022-10-19
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:to be published
To Be Published
8F2L
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BU of 8f2l by Molmil
Crystal structure of Mycobacterium tuberculosis Homoserine transacetylase in complex with L-Homoserine
Descriptor: Homoserine O-acetyltransferase, L-HOMOSERINE
Authors:Jayasinghe, Y.P, Ronning, D.R.
Deposit date:2022-11-08
Release date:2023-03-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural and Functional Characterization of Mycobacterium tuberculosis Homoserine Transacetylase.
Acs Infect Dis., 9, 2023
5LKA
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BU of 5lka by Molmil
Crystal structure of haloalkane dehalogenase LinB 140A+143L+177W+211L mutant (LinB86) from Sphingobium japonicum UT26 at 1.3 A resolution
Descriptor: Haloalkane dehalogenase, THIOCYANATE ION
Authors:Degtjarik, O, Rezacova, P, Iermak, I, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
Deposit date:2016-07-21
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.298 Å)
Cite:Engineering a de novo transport tunnel.
Acs Catalysis, 2016

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