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PDB: 34 results

6TWC
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BU of 6twc by Molmil
Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with Double Bridged Peptide F21
Descriptor: ACETONE, Coagulation factor XI, Double Bridged Peptide F21
Authors:Kong, X.D, Pojer, F, Heinis, C.
Deposit date:2020-01-13
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:De novo development of proteolytically resistant therapeutic peptides for oral administration.
Nat Biomed Eng, 4, 2020
6TWB
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BU of 6twb by Molmil
Crystal Structure of the Catalytic Domain of Coagulation Factor XIa in Complex with Double Bridged Peptide F19
Descriptor: AMMONIUM ION, Coagulation factor XI, Double Bridged Peptide F19
Authors:Kong, X.D, Pojer, F, Heinis, C.
Deposit date:2020-01-13
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:De novo development of proteolytically resistant therapeutic peptides for oral administration.
Nat Biomed Eng, 4, 2020
4XBX
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BU of 4xbx by Molmil
Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBT
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Crystal Structure of the L74F/M78F/L103V/L114V/I116V/F139V/L147V mutant of LEH complexed with (S,S)-cyclohexanediol
Descriptor: (1S,2S)-cyclohexane-1,2-diol, CITRATE ANION, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDV
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BU of 4xdv by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclohexanediol
Descriptor: (1R,2R)-cyclohexane-1,2-diol, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XBY
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BU of 4xby by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-17
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
4XDW
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BU of 4xdw by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH
Descriptor: Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z, Lonsdale, R, Xu, J.H, Reetz, M.T, Zhou, J.
Deposit date:2014-12-20
Release date:2015-07-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Reshaping an Enzyme Binding Pocket for Enhanced and Inverted Stereoselectivity: Use of Smallest Amino Acid Alphabets in Directed Evolution
Angew.Chem.Int.Ed.Engl., 54, 2015
5XMD
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BU of 5xmd by Molmil
Crystal structure of epoxide hydrolase VrEH1 from Vigna radiata
Descriptor: Epoxide hydrolase A
Authors:Kong, X.D, Xu, J.H, Zhou, J.H.
Deposit date:2017-05-14
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of Carboxyl reductase
to be published
4IO0
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BU of 4io0 by Molmil
Crystal structure of F128A mutant of an epoxide hydrolase from Bacillus megaterium complexed with its product (R)-3-[1]naphthyloxy-propane-1,2-diol
Descriptor: (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol, SULFATE ION, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-01-07
Release date:2014-02-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4INZ
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BU of 4inz by Molmil
The crystal structure of M145A mutant of an epoxide hydrolase from Bacillus megaterium
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-01-07
Release date:2014-02-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4O08
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BU of 4o08 by Molmil
Crystal structure of bacillus megaterium epoxide hydrolase in complex with an inhibitor
Descriptor: 2-phenoxyacetamide, SULFATE ION, Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NZZ
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BU of 4nzz by Molmil
Crystal structure of epoxide hydrolase from bacillus megaterium
Descriptor: Soluble epoxide hydrolase
Authors:Kong, X.D, Zhou, J.H, Xu, J.H.
Deposit date:2013-12-13
Release date:2014-10-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
5YQT
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BU of 5yqt by Molmil
Crystal Structure of the L74F/M78V/I80V/L114F mutant of LEH complexed with cyclopentene oxide
Descriptor: (1R,5S)-6-oxabicyclo[3.1.0]hexane, Limonene-1,2-epoxide hydrolase
Authors:Kong, X.D, Sun, Z.T, Wu, L, Reetz, M.T, Zhou, J.H, Xu, J.H.
Deposit date:2017-11-07
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Computational Insight into the Catalytic Mechanism of Limonene Epoxide Hydrolase Mutants in Stereoselective Transformations.
J. Am. Chem. Soc., 140, 2018
5Y5D
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BU of 5y5d by Molmil
The crystal structure of VrEH2 mutant M263W
Descriptor: Epoxide hydrolase
Authors:Xu, J.H, Yu, H.L, Zhou, J.H, Kong, X.D, Li, F.L.
Deposit date:2017-08-08
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of VrEH2 mutant M263W
To Be Published
4RNC
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BU of 4rnc by Molmil
Crystal structure of an esterase RhEst1 from Rhodococcus sp. ECU1013
Descriptor: Esterase, PHOSPHATE ION
Authors:Dou, S, Kong, X.D, Xu, J.H, Zhou, J.
Deposit date:2014-10-23
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate channel evolution of an esterase for the synthesis of Cilastatin
CATALYSIS SCIENCE AND TECHNOLOGY, 5, 2015
8K56
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BU of 8k56 by Molmil
Crystal structure of arylamine N-acyltransferase from Streptomyces aureus complexed with acyl-SNAC
Descriptor: SULFATE ION, arylamine N-acyltransferase, ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate
Authors:Ma, B.D, Yan, X, Qu, X, Kong, X.D.
Deposit date:2023-07-21
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of arylamine N-acyltransferase from Streptomyces aureus complexed with acyl-SNAC
To Be Published
8K51
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BU of 8k51 by Molmil
Crystal structure of arylamine N-acyltransferase from Streptomyces aureus
Descriptor: GLYCEROL, SULFATE ION, arylamine N-acyltransferase
Authors:Ma, B.D, Yan, X, Qu, X, Kong, X.D.
Deposit date:2023-07-20
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of arylamine N-acyltransferase from Streptomyces aureus
To Be Published
5XM6
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BU of 5xm6 by Molmil
the overall structure of VrEH2
Descriptor: Epoxide hydrolase
Authors:Li, F.L, Kong, X.D, Yu, H.L, Shang, Y.P, Zhou, J.H, Xu, J.H.
Deposit date:2017-05-12
Release date:2018-09-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
8WV3
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BU of 8wv3 by Molmil
NUDIX hydrolase from Bacillus methanolicus
Descriptor: ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL
Authors:Ma, B.D, Kong, X.D.
Deposit date:2023-10-23
Release date:2024-10-30
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:NUDIX hydrolase from Bacillus methanolicus
To Be Published
8WNH
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BU of 8wnh by Molmil
Crystal structure of cis-epoxysuccinate hydrolase from Rhodococcus opacus
Descriptor: Epoxide hydrolase, FORMIC ACID
Authors:Han, Y, Kong, X.D, Xu, J.H.
Deposit date:2023-10-05
Release date:2024-06-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
8WMT
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BU of 8wmt by Molmil
Crystal structure of cis-epoxysuccinic hydrolase from Bradyrhizobium mercantei
Descriptor: cis-epoxysuccinic hydrolase
Authors:Han, Y, Kong, X.D, Xu, J.H.
Deposit date:2023-10-04
Release date:2024-06-12
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
8WWS
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BU of 8wws by Molmil
Crystal structure of cis-epoxysuccinate hydrolase from Klebsiella oxytoca with L(+)-tartaric acid
Descriptor: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, CARBONATE ION, ...
Authors:Han, Y, Kong, X.D, Li, J, Xu, J.H.
Deposit date:2023-10-26
Release date:2024-06-12
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 63, 2024
4OB8
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BU of 4ob8 by Molmil
Crystal structure of a novel thermostable esterase from Pseudomonas putida ECU1011
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
Authors:Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
Deposit date:2014-01-07
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition
Biochem.Biophys.Res.Commun., 446, 2014
4OB7
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BU of 4ob7 by Molmil
Crystal structure of esterase rPPE mutant W187H
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
Authors:Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
Deposit date:2014-01-07
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition
Biochem.Biophys.Res.Commun., 446, 2014
4OU5
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BU of 4ou5 by Molmil
Crystal structure of esterase rPPE mutant S159A/W187H
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
Authors:Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
Deposit date:2014-02-15
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structures of Pseudomonas putida esterase reveal the functional role of residues 187 and 287 in substrate binding and chiral recognition
Biochem.Biophys.Res.Commun., 446, 2014

 

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