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7ZIX
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BU of 7zix by Molmil
X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (TMR-S4)
Descriptor: Haloalkane dehalogenase, [9-[2-carboxy-5-[2-[2-[4-(methylsulfonylamino)butoxy]ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium
Authors:Tarnawski, M, Kompa, J, Johnsson, K, Hiblot, J.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:X-ray structure of the haloalkane dehalogenase HaloTag7 bound to a butylmethanesulfonamide tetramethylrhodamine ligand (HSAm(4)-TMR)
To Be Published
5IE5
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BU of 5ie5 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
Authors:Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2016-02-25
Release date:2017-01-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016
5YHP
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BU of 5yhp by Molmil
Proline iminopeptidase from Psychrophilic yeast glaciozyma antarctica
Descriptor: CITRATE ANION, Cold active proline iminopeptidase
Authors:Rodzli, N.A, Kamaruddin, S, Jonet, A, Seman, W.M.K.W, Tab, M.M, Minor, N, Jaafar, N.R, Mahadi, N.M, Murad, A.M.A, Bakar, F.D.A, Illias, R.M.D.
Deposit date:2017-09-29
Release date:2017-10-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Proline iminopeptidase from Psychrophilic yeast glaciozyma antarctica
To Be Published
4Y2T
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BU of 4y2t by Molmil
Structure of soluble epoxide hydrolase in complex with 3-[4-(benzyloxy)phenyl]propan-1-ol
Descriptor: 3-[4-(benzyloxy)phenyl]propan-1-ol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
1X2E
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BU of 1x2e by Molmil
The crystal structure of prolyl aminopeptidase complexed with Ala-TBODA
Descriptor: (2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE, Proline iminopeptidase
Authors:Nakajima, Y, Ito, K, Sakata, M, Xu, Y, Matsubara, F, Hatakeyama, S, Yoshimoto, T.
Deposit date:2005-04-22
Release date:2006-05-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unusual extra space at the active site and high activity for acetylated hydroxyproline of prolyl aminopeptidase from Serratia marcescens
J.Bacteriol., 188, 2006
4Y2V
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BU of 4y2v by Molmil
Structure of soluble epoxide hydrolase in complex with (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid
Descriptor: (4-bromo-3-cyclopropyl-1H-pyrazol-1-yl)acetic acid, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
4Y2Q
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BU of 4y2q by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Descriptor: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
1X2B
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BU of 1x2b by Molmil
The crystal structure of prolyl aminopeptidase complexed with Sar-TBODA
Descriptor: 1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-2-(METHYLAMINO)ETHANONE, Proline iminopeptidase
Authors:Nakajima, Y, Ito, K, Sakata, M, Xu, Y, Matsubara, F, Hatakeyama, S, Yoshimoto, T.
Deposit date:2005-04-22
Release date:2006-05-09
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unusual extra space at the active site and high activity for acetylated hydroxyproline of prolyl aminopeptidase from Serratia marcescens
J.Bacteriol., 188, 2006
4OSE
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BU of 4ose by Molmil
X-ray Crystal Structure of a Putative Hydrolase from Rickettsia typhi
Descriptor: Putative Hydrolase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-02-12
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray Crystal Structure of a Putative Hydrolase from Rickettsia typhi
TO BE PUBLISHED
1MU0
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BU of 1mu0 by Molmil
Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK
Descriptor: (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL, Proline iminopeptidase
Authors:Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
Deposit date:2002-09-23
Release date:2002-11-06
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
2ZJF
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BU of 2zjf by Molmil
Crystal structure of Mycobacterium tuberculosis epoxide hydrolase B complexed with an inhibitor
Descriptor: 1,3-DIPHENYLUREA, ACETATE ION, Probable epoxide hydrolase ephB
Authors:Biswal, B.K, TB Structural Genomics Consortium (TBSGC)
Deposit date:2008-03-07
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.
J.Mol.Biol., 381, 2008
6L7M
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BU of 6l7m by Molmil
Characterization and structural analysis of a thermostable zearalenone-degrading enzyme
Descriptor: AB hydrolase-1 domain-containing protein
Authors:Wei, X.H, Meng, G.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Characterization and structural analysis of a thermostable zearalenone-degrading enzyme
To Be published
7A7G
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BU of 7a7g by Molmil
Soluble epoxide hydrolase in complex with TK90
Descriptor: (2~{R})-2-[[4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid, Bifunctional epoxide hydrolase 2
Authors:Ni, X, Kramer, J.S, Kirchner, T, Proschak, E, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-08-28
Release date:2021-08-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Combined Cardioprotective and Adipocyte Browning Effects Promoted by the Eutomer of Dual sEH/PPAR gamma Modulator.
J.Med.Chem., 64, 2021
5ALG
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BU of 5alg by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
1XRR
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BU of 1xrr by Molmil
Crystal structure of active site F1-mutant E245Q soaked with peptide Pro-Pro
Descriptor: PROLINE, Proline iminopeptidase
Authors:Goettig, P, Brandstetter, H, Groll, M, Goehring, W, Konarev, P.V, Svergun, D.I, Huber, R, Kim, J.-S.
Deposit date:2004-10-15
Release date:2005-07-12
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray snapshots of peptide processing in mutants of tricorn-interacting factor F1 from Thermoplasma acidophilum
J.Biol.Chem., 280, 2005
3ANT
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BU of 3ant by Molmil
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Descriptor: 4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide, Epoxide hydrolase 2
Authors:Chiyo, N, Ishii, T, Hourai, S, Yanagi, K.
Deposit date:2010-09-08
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
J.Med.Chem., 54, 2011
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
4C4Y
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BU of 4c4y by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
Descriptor: 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
Authors:Pilger, J, Mazur, A, Monecke, P, Schreuder, H, Elshorst, B, Langer, T, Schiffer, A, Krimm, I, Wegstroth, M, Lee, D, Hessler, G, Wendt, K.-U, Becker, S, Griesinger, C.
Deposit date:2013-09-09
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
7AL5
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BU of 7al5 by Molmil
Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Feiler, C.G, Blankenfeldt, W.
Deposit date:2020-10-05
Release date:2020-11-11
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
8HM5
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BU of 8hm5 by Molmil
Epoxide hydrolase from Caballeronia sordidicola PAMC 26510
Descriptor: Epoxide hydrolase
Authors:Hwang, J, Lee, M.J, Do, H, Lee, J.H.
Deposit date:2022-12-02
Release date:2023-12-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural insights into the distinct substrate preferences of two bacterial epoxide hydrolases.
Int.J.Biol.Macromol., 264, 2024
3I1I
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BU of 3i1i by Molmil
X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis
Descriptor: ACETATE ION, GLYCEROL, Homoserine O-acetyltransferase, ...
Authors:Osipiuk, J, Zhou, M, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-06-26
Release date:2009-07-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:X-ray crystal structure of homoserine O-acetyltransferase from Bacillus anthracis.
To be published
4Y2R
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BU of 4y2r by Molmil
Structure of soluble epoxide hydrolase in complex with 2-(piperazin-1-yl)nicotinonitrile
Descriptor: 2-(piperazin-1-yl)pyridine-3-carbonitrile, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
Authors:Amano, Y, Yamaguchi, T.
Deposit date:2015-02-10
Release date:2015-05-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
6KXR
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BU of 6kxr by Molmil
Crystal structure of wild type Alp1U from the biosynthesis of kinamycins
Descriptor: D-MALATE, Putative hydrolase
Authors:Zhang, L, Yingli, Z, De, B.C, Zhang, C.
Deposit date:2019-09-12
Release date:2020-09-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45073676 Å)
Cite:Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
3I1Y
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BU of 3i1y by Molmil
Crystal Structure of soluble epoxide Hydrolase
Descriptor: Epoxide hydrolase 2, N-(3,3-diphenylpropyl)pyridine-3-carboxamide
Authors:Farrow, N.A.
Deposit date:2009-06-28
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.469 Å)
Cite:Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.
J.Med.Chem., 52, 2009
3WKD
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BU of 3wkd by Molmil
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor
Descriptor: Bifunctional epoxide hydrolase 2, MAGNESIUM ION, N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide, ...
Authors:Amano, Y, Yamaguchi, T, Tanabe, E.
Deposit date:2013-10-18
Release date:2014-04-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.
Bioorg.Med.Chem., 22, 2014

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数据于2024-06-12公开中

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