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6W4N
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BU of 6w4n by Molmil
Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
分子名称: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
著者Xu, J.H, Solania, A, Wolan, D.W.
登録日2020-03-11
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.623 Å)
主引用文献Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
To Be Published
5Y5D
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BU of 5y5d by Molmil
The crystal structure of VrEH2 mutant M263W
分子名称: Epoxide hydrolase
著者Xu, J.H, Yu, H.L, Zhou, J.H, Kong, X.D, Li, F.L.
登録日2017-08-08
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The crystal structure of VrEH2 mutant M263W
To Be Published
6PX9
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BU of 6px9 by Molmil
Crystal structure of procaspase-8 in complex with covalent small molecule inhibitor 63-R
分子名称: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
著者Xu, J.H, Wolan, D.W.
登録日2019-07-25
公開日2020-01-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020
5WDK
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BU of 5wdk by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
分子名称: 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION
著者Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
登録日2017-07-05
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
5WDL
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BU of 5wdl by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
分子名称: Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION
著者Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
登録日2017-07-05
公開日2018-07-11
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.625 Å)
主引用文献A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
8J3P
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BU of 8j3p by Molmil
Formate dehydrogenase mutant from from Candida dubliniensis M4 complexed with NADP+
分子名称: Formate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ma, W, Zheng, Y.C, Geng, Q, Chen, C, Xu, J.H.
登録日2023-04-17
公開日2023-09-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering a Formate Dehydrogenase for NADPH Regeneration.
Chembiochem, 24, 2023
8WNH
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BU of 8wnh by Molmil
Crystal structure of cis-epoxysuccinate hydrolase from Rhodococcus opacus
分子名称: Epoxide hydrolase, FORMIC ACID
著者Han, Y, Kong, X.D, Xu, J.H.
登録日2023-10-05
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 2024
8WMT
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BU of 8wmt by Molmil
Crystal structure of cis-epoxysuccinic hydrolase from Bradyrhizobium mercantei
分子名称: cis-epoxysuccinic hydrolase
著者Han, Y, Kong, X.D, Xu, J.H.
登録日2023-10-04
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 2024
8WWS
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BU of 8wws by Molmil
Crystal structure of cis-epoxysuccinate hydrolase from Klebsiella oxytoca with L(+)-tartaric acid
分子名称: (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL, CARBONATE ION, ...
著者Han, Y, Kong, X.D, Li, J, Xu, J.H.
登録日2023-10-26
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Insights of a cis -Epoxysuccinate Hydrolase Facilitate the Development of Robust Biocatalysts for the Production of l-(+)-Tartrate.
Biochemistry, 2024
6JBY
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BU of 6jby by Molmil
Crystal structure of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H.
登録日2019-01-27
公開日2020-04-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 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
分子名称: Limonene-1,2-epoxide hydrolase
著者Kong, X.D, Sun, Z, Xu, J.H, Reetz, M.T, Zhou, J.
登録日2014-12-17
公開日2015-07-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献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
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
分子名称: (2R)-3-(naphthalen-1-yloxy)propane-1,2-diol, SULFATE ION, Soluble epoxide hydrolase
著者Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2013-01-07
公開日2014-02-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Soluble epoxide hydrolase
著者Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2013-01-07
公開日2014-02-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates.
Proc.Natl.Acad.Sci.USA, 111, 2014
4OB8
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BU of 4ob8 by Molmil
Crystal structure of a novel thermostable esterase from Pseudomonas putida ECU1011
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
著者Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
登録日2014-01-07
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
著者Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
登録日2014-01-07
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献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
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha/beta hydrolase fold-3 domain protein, DI(HYDROXYETHYL)ETHER
著者Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
登録日2014-02-15
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献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
4OU4
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BU of 4ou4 by Molmil
Crystal structure of esterase rPPE mutant S159A complexed with (S)-Ac-CPA
分子名称: (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein
著者Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
登録日2014-02-15
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献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
4OB6
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BU of 4ob6 by Molmil
Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA
分子名称: (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein
著者Dou, S, Kong, X.D, Ma, B.D, Chen, Q, Zhou, J.H, Xu, J.H.
登録日2014-01-07
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
5Y6Y
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BU of 5y6y by Molmil
The crystal structure of VrEH2 mutant M263N
分子名称: Epoxide hydrolase
著者Li, F.L, Yu, H.L, Chen, Q, Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2017-08-15
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
6X8H
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BU of 6x8h by Molmil
Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
分子名称: Ac-DW3-KE, Caspase-8
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
To Be Published
6X8J
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BU of 6x8j by Molmil
Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
分子名称: Caspase-7, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8I
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BU of 6x8i by Molmil
Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
分子名称: Caspase-3, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8L
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BU of 6x8l by Molmil
Caspase-7 in complex with elongated ketomethylene inhibitor
分子名称: Caspase-7, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Caspase-7 in complex with elongated ketomethylene inhibitor
To Be Published
6X8K
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BU of 6x8k by Molmil
Caspase-3 in complex with elongated ketomethylene inhibitor
分子名称: Caspase-3, ketomethylene inhibitor
著者Solania, A, Xu, J.H, Wolan, D.W.
登録日2020-06-01
公開日2021-06-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
5YB5
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BU of 5yb5 by Molmil
The complex crystal structure of VrEH2 mutant M263N with SNO
分子名称: (S)-PARA-NITROSTYRENE OXIDE, Epoxide hydrolase
著者Li, F.L, Chen, F.F, Chen, Q, Kong, X.D, Yu, H.L, Xu, J.H.
登録日2017-09-03
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018

 

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