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3OOS
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BU of 3oos by Molmil
The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne
分子名称: Alpha/beta hydrolase family protein, GLYCEROL, SULFATE ION, ...
著者Fan, Y, Tan, K, Bigelow, L, Hamilton, J, Li, H, Zhou, Y, Clancy, S, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2010-08-31
公開日2010-11-10
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structure of an alpha/beta fold family hydrolase from Bacillus anthracis str. Sterne
To be Published
3PDC
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BU of 3pdc by Molmil
Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
分子名称: Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
著者Kurumbail, R.G, Williams, J.M.
登録日2010-10-22
公開日2011-04-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
J.Med.Chem., 54, 2011
3QIT
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BU of 3qit by Molmil
Thioesterase Domain From Curacin Biosynthetic Pathway
分子名称: Polyketide synthase
著者Gehret, J.J, Smith, J.L.
登録日2011-01-27
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Terminal Alkene Formation by the Thioesterase of Curacin A Biosynthesis: STRUCTURE OF A DECARBOXYLATING THIOESTERASE.
J.Biol.Chem., 286, 2011
3R3Y
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BU of 3r3y by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/Fluoroacetate
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3W
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BU of 3r3w by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Chloroacetate
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R40
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BU of 3r40 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/apo
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3X
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BU of 3r3x by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Bromoacetate
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3U
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BU of 3r3u by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/apo
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase, NICKEL (II) ION
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R41
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BU of 3r41 by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - His280Asn/apo
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-17
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3R3Z
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BU of 3r3z by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - WT/Glycolate
分子名称: Fluoroacetate dehalogenase, GLYCOLIC ACID, NICKEL (II) ION
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3QYJ
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BU of 3qyj by Molmil
Crystal structure of ALR0039, a putative alpha/beta hydrolase from Nostoc sp PCC 7120.
分子名称: Alr0039 protein
著者Petit, P, Kagan, O, Yakunin, A.F, Savchenko, A.
登録日2011-03-03
公開日2011-03-16
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.778 Å)
主引用文献Crystal structure of ALR0039, a putative alpha/beta hydrolase from Nostoc sp PCC 7120.
To be Published
3RK4
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BU of 3rk4 by Molmil
Structure of Rhodococcus rhodochrous haloalkane dehalogenase mutant DhaA31
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Lahoda, M, Stsiapanava, A, Mesters, J, Chaloupkova, R, Damborsky, J, Kuta Smatanova, I.
登録日2011-04-17
公開日2012-04-18
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献Crystallographic analysis of 1,2,3-trichloropropane biodegradation by the haloalkane dehalogenase DhaA31.
Acta Crystallogr.,Sect.D, 70, 2014
3SK0
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BU of 3sk0 by Molmil
structure of Rhodococcus rhodochrous haloalkane dehalogenase DhaA mutant DhaA12
分子名称: CHLORIDE ION, Haloalkane dehalogenase
著者Lahoda, M, Stsiapanava, A, Mesters, J, Koudelakova, T, Damborsky, J, Kuta-Smatanova, I.
登録日2011-06-22
公開日2012-06-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Dynamics and hydration explain failed functional transformation in dehalogenase design.
Nat.Chem.Biol., 10, 2014
3T4U
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BU of 3t4u by Molmil
L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
分子名称: Arylesterase, CHLORIDE ION, GLYCEROL, ...
著者Kazlauskas, R.J, Yin, T, Purpero, V.M.
登録日2011-07-26
公開日2012-08-01
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
To be Published
3RKS
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BU of 3rks by Molmil
Crystal Structure of the Manihot esculenta Hydroxynitrile Lyase (MeHNL) K176P mutant
分子名称: GLYCEROL, Hydroxynitrilase
著者Cielo, C.B.C, Yamane, T, Asano, Y, Dadashipour, M, Suzuki, A, Mizushima, T, Komeda, H.
登録日2011-04-18
公開日2012-06-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic Studies of Manihot esculenta hydroxynitrile lyase Lysine-to-Proline mutants
To be Published
3R3V
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BU of 3r3v by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Asp110Asn/Fluoroacetate
分子名称: CALCIUM ION, CHLORIDE ION, Fluoroacetate dehalogenase, ...
著者Chan, P.W.Y, Yakunin, A.F, Edwards, E.A, Pai, E.F.
登録日2011-03-16
公開日2011-05-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Mapping the reaction coordinates of enzymatic defluorination.
J.Am.Chem.Soc., 133, 2011
3T52
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BU of 3t52 by Molmil
L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
分子名称: ACETATE ION, Arylesterase, CHLORIDE ION, ...
著者Kazlauskas, R.J, Yin, T, Purpero, V.M.
登録日2011-07-26
公開日2012-08-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
To be Published
3QVM
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BU of 3qvm by Molmil
The structure of olei00960, a hydrolase from Oleispira antarctica
分子名称: CALCIUM ION, CHLORIDE ION, Olei00960, ...
著者Singer, A.U, Kagan, O, Kim, Y, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
登録日2011-02-25
公開日2011-04-13
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
5XM6
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BU of 5xm6 by Molmil
the overall structure of VrEH2
分子名称: Epoxide hydrolase
著者Li, F.L, Kong, X.D, Yu, H.L, Shang, Y.P, Zhou, J.H, Xu, J.H.
登録日2017-05-12
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
6QHY
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BU of 6qhy by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
分子名称: Fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QHS
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BU of 6qhs by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 564 ms
分子名称: Fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QI0
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BU of 6qi0 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 9024 ms
分子名称: CALCIUM ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QI3
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BU of 6qi3 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 27072 ms
分子名称: Fluoroacetate dehalogenase, GLYCOLIC ACID
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.739 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QHV
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BU of 6qhv by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
分子名称: Fluoroacetate dehalogenase, fluoroacetic acid
著者Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
登録日2019-01-17
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.715 Å)
主引用文献Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QKS
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BU of 6qks by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Apo
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase
著者Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
登録日2019-01-30
公開日2019-06-26
最終更新日2019-09-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019

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