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8OE2
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Structure of hyperstable haloalkane dehalogenase variant DhaA223
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Marek, M.
登録日2023-03-10
公開日2024-01-17
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Advancing Enzyme's Stability and Catalytic Efficiency through Synergy of Force-Field Calculations, Evolutionary Analysis, and Machine Learning.
Acs Catalysis, 13, 2023
2LIP
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BU of 2lip by Molmil
PSEUDOMONAS LIPASE OPEN CONFORMATION
分子名称: CALCIUM ION, LIPASE
著者Schrag, J.D, Cygler, M.
登録日1996-12-13
公開日1997-03-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
2OCI
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BU of 2oci by Molmil
Crystal structure of valacyclovir hydrolase complexed with a product analogue
分子名称: L-TYROSINAMIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OCK
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BU of 2ock by Molmil
Crystal structure of valacyclovir hydrolase D123N mutant
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OCL
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BU of 2ocl by Molmil
Crystal structure of valacyclovir hydrolase S122A mutant
分子名称: MAGNESIUM ION, MANGANESE (II) ION, Valacyclovir hydrolase
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2OG1
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BU of 2og1 by Molmil
Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400
分子名称: 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase, ETHANOL, GLYCEROL, ...
著者Dai, S, Ke, J, Bolin, J.T.
登録日2007-01-04
公開日2007-01-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and structural insight into the mechanism of BphD, a C-C bond hydrolase from the biphenyl degradation pathway
Biochemistry, 45, 2006
2OCG
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BU of 2ocg by Molmil
Crystal structure of human valacyclovir hydrolase
分子名称: GLYCEROL, MAGNESIUM ION, MANGANESE (II) ION, ...
著者Lai, L, Xu, Z, Amidon, G.L.
登録日2006-12-20
公開日2008-02-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular basis of prodrug activation by human valacyclovirase, an alpha-amino acid ester hydrolase.
J.Biol.Chem., 283, 2008
2O2H
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BU of 2o2h by Molmil
Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
分子名称: 1,2-DICHLOROETHANE, ACETATE ION, CHLORIDE ION, ...
著者Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2006-11-29
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
TO BE PUBLISHED
2O2I
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Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol
分子名称: 1,3-PROPANDIOL, BROMIDE ION, Haloalkane dehalogenase 3
著者Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC)
登録日2006-11-29
公開日2007-11-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol
To be Published
2NW6
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BU of 2nw6 by Molmil
Burkholderia cepacia lipase complexed with S-inhibitor
分子名称: (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE, CALCIUM ION, Lipase, ...
著者Luic, M, Stefanic, Z.
登録日2006-11-14
公開日2007-12-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Combined X-ray diffraction and QM/MM study of the Burkholderia cepacia lipase-catalyzed secondary alcohol esterification
J.Phys.Chem.B, 112, 2008
5EFZ
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BU of 5efz by Molmil
Monoclinic structure of the acetyl esterase MekB
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Toelzer, C, Pal, S, Watzlawick, H, Altenbuchner, J, Niefind, K.
登録日2015-10-26
公開日2015-12-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A novel esterase subfamily with alpha / beta-hydrolase fold suggested by structures of two bacterial enzymes homologous to l-homoserine O-acetyl transferases.
Febs Lett., 590, 2016
5ESR
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BU of 5esr by Molmil
Crystal structure of haloalkane dehalogenase (DccA) from Caulobacter crescentus
分子名称: CHLORIDE ION, COBALT (II) ION, Haloalkane dehalogenase, ...
著者Malashkevich, V.N, Toro, R, Mundorff, E.C, Almo, S.C.
登録日2015-11-17
公開日2016-06-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.476 Å)
主引用文献Biochemical characterization of two haloalkane dehalogenases: DccA from Caulobacter crescentus and DsaA from Saccharomonospora azurea.
Protein Sci., 25, 2016
1K63
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BU of 1k63 by Molmil
Complex of hydrolytic haloalkane dehalogenase linb from sphingomonas paucimobilis with UT26 2-BROMO-2-PROPENE-1-OL at 1.8A resolution
分子名称: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, 2-BROMO-2-PROPENE-1-OL, BROMIDE ION, ...
著者Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
登録日2001-10-15
公開日2003-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
1K6E
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BU of 1k6e by Molmil
COMPLEX OF HYDROLYTIC HALOALKANE DEHALOGENASE LINB FROM SPHINGOMONAS PAUCIMOBILIS UT26 WITH 1,2-PROPANEDIOL (PRODUCT OF DEHALOGENATION OF 1,2-DIBROMOPROPANE) AT 1.85A
分子名称: 1-BROMOPROPANE-2-OL, BROMIDE ION, CHLORIDE ION, ...
著者Streltsov, V.A, Prokop, Z, Damborsky, J, Nagata, Y, Oakley, A, Wilce, M.C.J.
登録日2001-10-16
公開日2003-08-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates.
Biochemistry, 42, 2003
1K8Q
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BU of 1k8q by Molmil
CRYSTAL STRUCTURE OF DOG GASTRIC LIPASE IN COMPLEX WITH A PHOSPHONATE INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Triacylglycerol lipase, gastric, ...
著者Roussel, A, Miled, N, Berti-Dupuis, L, Riviere, M, Spinelli, S, Berna, P, Gruber, V, Verger, R, Cambillau, C.
登録日2001-10-25
公開日2002-03-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the open form of dog gastric lipase in complex with a phosphonate inhibitor.
J.Biol.Chem., 277, 2002
1K5P
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BU of 1k5p by Molmil
Hydrolytic haloalkane dehalogenase LINB from sphingomonas paucimobilis UT26 at 1.8A resolution
分子名称: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
著者Streltsov, V.A, Damborsky, J, Wilce, M.C.J.
登録日2001-10-12
公開日2003-08-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates
Biochemistry, 42, 2003
5FLK
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BU of 5flk by Molmil
Structure of haloalkane dehalogenase variant DhaA101
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DHAA101, DI(HYDROXYETHYL)ETHER
著者Chaloupkova, R, Waterman, J, Damborsky, J.
登録日2015-10-26
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Evolutionary Analysis is a Powerful Complement to Energy Calculations Allowing Entropy-Driven Stabilization
To be Published
5H3H
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BU of 5h3h by Molmil
Esterase (EaEST) from Exiguobacterium antarcticum
分子名称: Abhydrolase domain-containing protein, ETHANEPEROXOIC ACID
著者Lee, J.H, Lee, C.W.
登録日2016-10-24
公開日2017-01-11
最終更新日2022-10-19
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure and Functional Characterization of an Esterase (EaEST) from Exiguobacterium antarcticum.
Plos One, 12, 2017
1M33
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BU of 1m33 by Molmil
Crystal Structure of BioH at 1.7 A
分子名称: 1,2-ETHANEDIOL, 3-HYDROXY-PROPANOIC ACID, BioH protein
著者Sanishvili, R, Savchenko, A, Skarina, T, Edwards, A, Joachimiak, A, Yakunin, A, Midwest Center for Structural Genomics (MCSG)
登録日2002-06-26
公開日2003-01-21
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Integrating structure, bioinformatics, and enzymology to discover function: BioH, a new carboxylesterase from Escherichia coli.
J.Biol.Chem., 278, 2003
1MJ5
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BU of 1mj5 by Molmil
LINB (haloalkane dehalogenase) from sphingomonas paucimobilis UT26 at atomic resolution
分子名称: 1,3,4,6-tetrachloro-1,4-cyclohexadiene hydrolase, CHLORIDE ION, MAGNESIUM ION
著者Oakley, A.J, Damborsky, J, Wilce, M.C.
登録日2002-08-27
公開日2003-08-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues.
Biochemistry, 43, 2004
5HZ2
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BU of 5hz2 by Molmil
Crystal structure of PhaC1 from Ralstonia eutropha
分子名称: GLYCEROL, Poly-beta-hydroxybutyrate polymerase, SULFATE ION
著者Kim, J, Kim, K.-J.
登録日2016-02-02
公開日2016-12-07
最終更新日2017-04-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Ralstonia eutropha polyhydroxyalkanoate synthase C-terminal domain and reaction mechanisms.
Biotechnol J, 12, 2017
1MT3
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BU of 1mt3 by Molmil
Crystal Structure of the Tricorn Interacting Factor Selenomethionine-F1
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Proline iminopeptidase
著者Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
登録日2002-09-20
公開日2002-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
1MTZ
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BU of 1mtz by Molmil
Crystal Structure of the Tricorn Interacting Factor F1
分子名称: Proline iminopeptidase
著者Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
登録日2002-09-23
公開日2002-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
1MU0
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BU of 1mu0 by Molmil
Crystal Structure of the Tricorn Interacting Factor F1 Complex with PCK
分子名称: (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL, Proline iminopeptidase
著者Goettig, P, Groll, M, Kim, J.-S, Huber, R, Brandstetter, H.
登録日2002-09-23
公開日2002-11-06
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the tricorn-interacting aminopeptidase F1 with different ligands explain its catalytic mechanism
Embo J., 21, 2002
5IE7
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BU of 5ie7 by Molmil
Crystal structure of a lactonase double mutant in complex with substrate b
分子名称: (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, Zearalenone hydrolase
著者Zheng, Y.Y, Xu, Z.X, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2016-02-25
公開日2017-01-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Enhanced alph-Zearalenol Hydrolyzing Activity of a Mycoestrogen-Detoxifying Lactonase by Structure-Based Engineering
Acs Catalysis, 6, 2016

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