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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
Descriptor: 2-azanyl-~{N}-[(3~{S})-2-oxidanylidenehex-5-yn-3-yl]ethanamide, Aminopeptidase, POTASSIUM ION
Authors:Xu, J.H, Solania, A, Wolan, D.W.
Deposit date:2020-03-11
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.623 Å)
Cite:Co-crystal structure of Pd_dinase with probe glycine-propargylglycine-AOMK
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
Descriptor: Caspase-8, N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
Authors:Xu, J.H, Wolan, D.W.
Deposit date:2019-07-25
Release date:2020-01-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Integrative X-ray Structure and Molecular Modeling for the Rationalization of Procaspase-8 Inhibitor Potency and Selectivity.
Acs Chem.Biol., 15, 2020
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
5WDK
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BU of 5wdk by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
Descriptor: 5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-N-(2-oxopropyl)pentanamide, Aminopeptidase C, POTASSIUM ION
Authors:Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.36 Å)
Cite: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
Descriptor: Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION
Authors:Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.625 Å)
Cite:A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
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
4EEX
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BU of 4eex by Molmil
Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase
Descriptor: Alcohol dehydrogenase 1, TETRAETHYLENE GLYCOL, ZINC ION
Authors:Liu, X, Bastian, S, Snow, C.D, Brustad, E.M, Saleski, T, Xu, J.H, Meinhold, P, Arnold, F.H.
Deposit date:2012-03-28
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol.
J.Biotechnol., 164, 2012
7BWP
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BU of 7bwp by Molmil
Crystal complex of endo-deglycosylated PcHNL5 with (R)-mandelonitrile
Descriptor: (2R)-hydroxy(phenyl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
Authors:Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-04-15
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
6X8H
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BU of 6x8h by Molmil
Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
Descriptor: Ac-DW3-KE, Caspase-8
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Caspase-8 in complex with AOMK inhibitor, Ac-DW3-KE, forms tetrahedral adduct
To Be Published
6X8L
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BU of 6x8l by Molmil
Caspase-7 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-7, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Caspase-7 in complex with elongated ketomethylene inhibitor
To Be Published
6X8J
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BU of 6x8j by Molmil
Caspase-7 in complex with ketomethylene inhibitor reveals tetrahedral adduct
Descriptor: Caspase-7, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.604 Å)
Cite: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
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caspase-3 in complex with ketomethylene inhibitor reveals tetrahedral adduct
To Be Published
6X8K
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BU of 6x8k by Molmil
Caspase-3 in complex with elongated ketomethylene inhibitor
Descriptor: Caspase-3, ketomethylene inhibitor
Authors:Solania, A, Xu, J.H, Wolan, D.W.
Deposit date:2020-06-01
Release date:2021-06-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Caspase-3 in complex with elongated ketomethylene inhibitor
To Be Published
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
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
6A37
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BU of 6a37 by Molmil
X-ray structure of cyclohexanone monooxygenase from Acinetobacter calcoaceticus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative flavin-binding monooxygenase
Authors:Zhang, Y, Yu, H.L, Xu, J.H.
Deposit date:2018-06-15
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Engineering of Cyclohexanone Monooxygenase for the Enantioselective Synthesis of (S)-Omeprazole
Acs Sustain Chem Eng
6KBH
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BU of 6kbh by Molmil
Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
Descriptor: Cytochrome P450 monooxygenase, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Gong, R, Wu, L.J, Zhang, Y, Liu, Z, Dou, S, Zhang, R.G, Xu, J.H, Tang, C, Zhou, J.H.
Deposit date:2019-06-25
Release date:2020-07-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of an intact type IV self-sufficient cytochrome P450 monooxygenase
To Be Published
4XUK
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BU of 4xuk by Molmil
Crystal structure of hydrolase AbOPH in beta lactamase superfamily
Descriptor: Putative hydrolase, ZINC ION
Authors:Chen, J, Xu, J.H, Zhou, J.H.
Deposit date:2015-01-26
Release date:2015-10-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Marked enhancement of Acinetobacter sp. organophosphorus hydrolase activity by a single residue substitution Ile211Ala
Bioresour Bioprocess, 2015
6LQY
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BU of 6lqy by Molmil
Crystal complex of endo-deglycosylated hydroxynitrile lyase isozyme 5 of Prunus communis with benzaldehyde
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, PREDICTED: (R)-mandelonitrile lyase, ...
Authors:Zheng, Y.C, Li, F.L, Yu, H.L, Xu, J.H.
Deposit date:2020-01-15
Release date:2020-05-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Structure-Guided Tuning of a Hydroxynitrile Lyase to Accept Rigid Pharmaco Aldehydes.
Acs Catalysis, 2020
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
4OU4
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BU of 4ou4 by Molmil
Crystal structure of esterase rPPE mutant S159A complexed with (S)-Ac-CPA
Descriptor: (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein
Authors:Dou, S, Kong, X.D, Ma, B.D, Xu, J.H, Zhou, J.H.
Deposit date:2014-02-15
Release date:2014-07-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 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
4OB6
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BU of 4ob6 by Molmil
Complex structure of esterase rPPE S159A/W187H and substrate (S)-Ac-CPA
Descriptor: (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid, Alpha/beta hydrolase fold-3 domain protein
Authors:Dou, S, Kong, X.D, Ma, B.D, Chen, Q, Zhou, J.H, Xu, J.H.
Deposit date:2014-01-07
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 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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