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4OCZ
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BU of 4ocz by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with 1-(1-isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
Descriptor: 1-[1-(2-methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ...
Authors:Lee, K.S.S, Liu, J, Wagner, K.M, Pakhomova, S, Dong, H, Morriseau, C, Fu, S.H, Yang, J, Wang, P, Ulu, A, Mate, C, Nguyen, L, Wullf, H, Eldin, M.L, Mara, A.A, Newcomer, M.E, Zeldin, D.C, Hammock, B.D.
Deposit date:2014-01-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy.
J.Med.Chem., 57, 2014
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
4DMF
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BU of 4dmf by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the H177A mutation
Descriptor: Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-07
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Inhibiting an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa Protects CFTR.
Angew.Chem.Int.Ed.Engl., 54, 2015
3KDA
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BU of 3kda by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the H269A mutation
Descriptor: CFTR inhibitory factor (Cif)
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2009-10-22
Release date:2010-01-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the cystic fibrosis transmembrane conductance regulator inhibitory factor Cif reveals novel active-site features of an epoxide hydrolase virulence factor.
J.Bacteriol., 192, 2010
3KD2
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BU of 3kd2 by Molmil
Crystal structure of the CFTR inhibitory factor Cif
Descriptor: CFTR inhibitory factor (Cif)
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2009-10-22
Release date:2010-01-26
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cystic fibrosis transmembrane conductance regulator inhibitory factor Cif reveals novel active-site features of an epoxide hydrolase virulence factor.
J.Bacteriol., 192, 2010
5HKA
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BU of 5hka by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to an amide inhibitor
Descriptor: 5'-[2,6-dichloro-4-(propanoylamino)phenoxy]-2'-hydroxybiphenyl-4-carboxamide, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-01-13
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
5HK9
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BU of 5hk9 by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to a urea inhibitor
Descriptor: CFTR inhibitory factor, N-(4-{[4'-(carbamoylamino)-6-hydroxybiphenyl-3-yl]oxy}-3,5-dichlorophenyl)propanamide
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-01-13
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
5HKB
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BU of 5hkb by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to the inhibitor KB2115
Descriptor: ACETATE ION, CFTR Inhibitory Factor (Cif), KB2115
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-01-13
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa.
J.Med.Chem., 59, 2016
8GJR
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BU of 8gjr by Molmil
Crystal Structure of Nanobody VHH114 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, CITRATE ANION, Nanobody VHH114
Authors:Simard, A.R, Madden, D.R.
Deposit date:2023-03-16
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Nanobody VHH114 Bound to Its Antigen PA14 Cif
To Be Published
4DMK
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BU of 4dmk by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the Y239F mutation
Descriptor: GLYCEROL, Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-07
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibiting an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa Protects CFTR.
Angew.Chem.Int.Ed.Engl., 54, 2015
4DM7
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BU of 4dm7 by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the E153D mutation
Descriptor: Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-07
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Inhibiting an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa Protects CFTR.
Angew.Chem.Int.Ed.Engl., 54, 2015
4DLN
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BU of 4dln by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the D129S mutation
Descriptor: Putative hydrolase
Authors:Bahl, C.D, Amacher, J.F, Madden, D.R.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Inhibiting an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa Protects CFTR.
Angew.Chem.Int.Ed.Engl., 54, 2015
4DNO
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BU of 4dno by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the E153Q mutation adducted with the 1,2-epoxyhexane hydrolysis intermediate
Descriptor: (2R)-hexane-1,2-diol, Putative hydrolase
Authors:Bahl, C.D, Patankar, Y.R, Madden, D.R.
Deposit date:2012-02-08
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
4DNF
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BU of 4dnf by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the E153Q mutation adducted with the epibromohydrin hydrolysis intermediate
Descriptor: (2S)-1-bromopropan-2-ol, Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-08
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
4DMH
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BU of 4dmh by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the H207A mutation
Descriptor: GLYCEROL, Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-07
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibiting an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa Protects CFTR.
Angew.Chem.Int.Ed.Engl., 54, 2015
4DMC
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BU of 4dmc by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the E153Q mutation
Descriptor: Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-02-07
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
4EUS
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BU of 4eus by Molmil
Crystal structure of the CFTR inhibitory factor Cif bound to 1,2-hexanediol
Descriptor: (2S)-hexane-1,2-diol, Putative hydrolase
Authors:Bahl, C.D, Madden, D.R.
Deposit date:2012-04-25
Release date:2013-08-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
4EHB
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BU of 4ehb by Molmil
Crystal structure of the CFTR inhibitory factor Cif with the D129S mutation bound to epoxyhexane
Descriptor: (2R)-2-butyloxirane, Putative hydrolase
Authors:Hvorecny, K.L, Bahl, C.D, Madden, D.R.
Deposit date:2012-04-02
Release date:2013-08-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Visualizing the Mechanism of Epoxide Hydrolysis by the Bacterial Virulence Enzyme Cif.
Biochemistry, 55, 2016
5TNF
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BU of 5tnf by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 19,20-EpDPE hydrolysis intermediate
Descriptor: (4Z,7Z,10Z,13Z,16Z,19R,20R)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNQ
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BU of 5tnq by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-Styrene oxide hydrolysis intermediate
Descriptor: (1R)-1-phenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNH
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BU of 5tnh by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 17,18-EpETE hydrolysis intermediate
Descriptor: (5Z,8Z,11Z,14Z,17R,18R)-17,18-dihydroxyicosa-5,8,11,14-tetraenoic acid, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNS
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BU of 5tns by Molmil
Crystal structure of the D129S mutant of the CFTR inhibitory factor Cif containing 1,2-Epoxycyclohexane
Descriptor: (1R,6S)-7-oxabicyclo[4.1.0]heptane, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNM
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BU of 5tnm by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted (R)-1,2-Epoxyoctane hydrolysis intermediate
Descriptor: (2R)-octane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017
5TNE
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BU of 5tne by Molmil
Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted cis-Stilbene Oxide hydrolysis intermediate
Descriptor: (1R,2R)-1,2-diphenylethane-1,2-diol, CFTR inhibitory factor
Authors:Hvorecny, K.L, Madden, D.R.
Deposit date:2016-10-14
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Active-Site Flexibility and Substrate Specificity in a Bacterial Virulence Factor: Crystallographic Snapshots of an Epoxide Hydrolase.
Structure, 25, 2017

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