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6IOG
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BU of 6iog by Molmil
Crystal structure of Homoserine O-acetyltransferase from Mycobacterium smegmatis ATCC 19420
Descriptor: GLYCEROL, Homoserine O-acetyltransferase
Authors:Sagong, H.-Y, Kim, K.-J.
Deposit date:2018-10-30
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure and biochemical characterization of O-acetylhomoserine acetyltransferase from Mycobacterium smegmatis ATCC 19420.
Biochem.Biophys.Res.Commun., 517, 2019
6MUY
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BU of 6muy by Molmil
Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-24
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6IMP
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BU of 6imp by Molmil
Crystal structure of alpha-beta hydrolase (ABH) from Vibrio vulnificus
Descriptor: RTX toxin RtxA
Authors:Kim, M.H, Hwang, J.
Deposit date:2018-10-23
Release date:2019-08-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6MUH
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BU of 6muh by Molmil
Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography
Descriptor: Fluoroacetate dehalogenase
Authors:Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D.
Deposit date:2018-10-23
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
6II2
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BU of 6ii2 by Molmil
Crystal structure of alpha-beta hydrolase (ABH) and Makes Caterpillars Floppy (MCF)-Like effectors of Vibrio vulnificus MO6-24/O
Descriptor: Putative RTX-toxin
Authors:Lee, Y, Kim, B.S, Choi, S, Lee, E.Y, Park, S, Hwang, J, Kwon, Y, Hyung, J, Lee, C, Eom, S.H, Kim, M.H.
Deposit date:2018-10-03
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Makes caterpillars floppy-like effector-containing MARTX toxins require host ADP-ribosylation factor (ARF) proteins for systemic pathogenicity.
Proc.Natl.Acad.Sci.USA, 116, 2019
6HGW
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BU of 6hgw by Molmil
Soluble epoxide hydrolase in complex with 2-(4-fluorophenyl)-N-(4-phenoxybenzyl)ethanamine
Descriptor: 2-(4-fluorophenyl)-~{N}-[(4-phenoxyphenyl)methyl]ethanamine, Bifunctional epoxide hydrolase 2
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2018-08-23
Release date:2019-08-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.407 Å)
Cite:Soluble epoxide hydrolase in complex with 2-(4-fluorophenyl)-N-(4-phenoxybenzyl)ethanamine
To Be Published
6HGX
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BU of 6hgx by Molmil
Soluble epoxide hydrolase in complex with 1-(4-((4-(tert-butyl)morpholin-2-yl)methoxy)phenyl)-3-cyclohexylurea
Descriptor: 1-[4-[[(2~{S})-4-~{tert}-butylmorpholin-2-yl]methoxy]phenyl]-3-cyclohexyl-urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2018-08-23
Release date:2019-07-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
6HGV
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BU of 6hgv by Molmil
Soluble epoxide hydrolase in complex with talinolol
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, R-Talinolol
Authors:Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
Deposit date:2018-08-23
Release date:2019-07-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Computer-Aided Selective Optimization of Side Activities of Talinolol.
Acs Med.Chem.Lett., 10, 2019
6GXT
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BU of 6gxt by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD2052MS after reaction initiation
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
6GXD
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BU of 6gxd by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD752MS after reaction initiation
Descriptor: CHLORIDE ION, fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
6GXH
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BU of 6gxh by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: FAcD 0MS after reaction initiation
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
6GXL
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BU of 6gxl by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM2
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
6GXF
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BU of 6gxf by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
Deposit date:2018-06-27
Release date:2018-10-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
6COB
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BU of 6cob by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COI
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BU of 6coi by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with CYANIDE, benzaldehyde, MANDELIC ACID NITRILE
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.024 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COG
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BU of 6cog by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COH
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BU of 6coh by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I with benzaldehyde, MANDELIC ACID NITRILE
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, Alpha-hydroxynitrile lyase, GLYCEROL, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.367 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COF
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BU of 6cof by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,A209I
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COC
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BU of 6coc by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo, Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COD
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BU of 6cod by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde
Descriptor: Alpha-hydroxynitrile lyase, CHLORIDE ION, GLYCEROL, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6COE
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BU of 6coe by Molmil
AtHNL enantioselectivity mutant At-A9-H7 Apo Y13C,Y121L,P126F,L128W,C131T,F179L,A209I with benzaldehyde, MANDELIC ACID NITRILE
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, (S)-MANDELIC ACID NITRILE, Alpha-hydroxynitrile lyase, ...
Authors:Jones, B.J, Kazlauskas, R.J, Desrouleaux, R.
Deposit date:2018-03-12
Release date:2019-03-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.844 Å)
Cite:AtHNL enantioselectivity mutants
To be published
6CL4
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BU of 6cl4 by Molmil
LipC12 - Lipase from metagenomics
Descriptor: Lipase C12
Authors:Iulek, J, Martini, V.P, Krieger, N, Glogauer, A, Souza, E.M.
Deposit date:2018-03-01
Release date:2019-03-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structure solution and analyses of the first true lipase obtained from metagenomics indicate potential for increased thermostability.
N Biotechnol, 53, 2019
6FSX
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BU of 6fsx by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Mehrabi, P, Mueller-werkmeiser, H, Tellkamp, F, Jha, A, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E, Miller, D.
Deposit date:2018-02-20
Release date:2018-10-24
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
6FR2
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BU of 6fr2 by Molmil
Soluble epoxide hydrolase in complex with LK864
Descriptor: 1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Kramer, J.S, Pogoryelov, D, Krasavin, M, Proschak, E.
Deposit date:2018-02-15
Release date:2018-09-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.262 Å)
Cite:Discovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Bioorg. Chem., 80, 2018
5Z97
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BU of 5z97 by Molmil
Crystal structure of a lactonase double mutant in complex with ligand N
Descriptor: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein, SULFATE ION
Authors:Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2018-02-02
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018

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