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1HQD
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BU of 1hqd by Molmil
PSEUDOMONAS CEPACIA LIPASE COMPLEXED WITH TRANSITION STATE ANALOGUE OF 1-PHENOXY-2-ACETOXY BUTANE
分子名称: (RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE, CALCIUM ION, LIPASE
著者Luic, M, Tomic, S, Lescic, I, Ljubovic, E, Sepac, D, Sunjic, V, Vitale, L, Saenger, W, Kojic-Prodic, B.
登録日2000-12-15
公開日2001-08-22
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Complex of Burkholderia cepacia lipase with transition state analogue of 1-phenoxy-2-acetoxybutane: biocatalytic, structural and modelling study.
Eur.J.Biochem., 268, 2001
6XY9
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BU of 6xy9 by Molmil
Crystal structure of haloalkane dehalogenase DbeA-M1 loop variant from Bradyrhizobium elkanii
分子名称: ACETATE ION, CHLORIDE ION, Haloalkane dehalogenase
著者Prudnikova, T, Rezacova, P, Kuta Smatanova, I, Chaloupkova, R, Damborsky, J.
登録日2020-01-29
公開日2020-07-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and catalytic effects of surface loop-helix transplantation within haloalkane dehalogenase family.
Comput Struct Biotechnol J, 18, 2020
6XTC
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BU of 6xtc by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3
分子名称: GLYCEROL, Haloalkane dehalogenase variant DhaA177 domain-swapped dimer type-3, SULFATE ION
著者Markova, K, Damborsky, J, Marek, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.543 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
6XT8
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BU of 6xt8 by Molmil
Crystal structure of haloalkane dehalogenase variant DhaA115 domain-swapped dimer type-2
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ...
著者Markova, K, Damborsky, J, Marek, M.
登録日2020-01-15
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Computational Enzyme Stabilization Can Affect Folding Energy Landscapes and Lead to Catalytically Enhanced Domain-Swapped Dimers
Acs Catalysis, 11, 2021
6YAS
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BU of 6yas by Molmil
HYDROXYNITRILE LYASE FROM HEVEA BRASILIENSIS, ROOM TEMPERATURE STRUCTURE
分子名称: PROTEIN (HYDROXYNITRILE LYASE), SULFATE ION
著者Zuegg, J, Wagner, U.G, Gugganig, M, Kratky, C.
登録日1999-03-15
公開日1999-10-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Three-dimensional structures of enzyme-substrate complexes of the hydroxynitrile lyase from Hevea brasiliensis.
Protein Sci., 8, 1999
4BB0
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BU of 4bb0 by Molmil
Structure of a putative epoxide hydrolase Q244E mutant from Pseudomonas aeruginosa, with bound MFA.
分子名称: PROBABLE EPOXIDE HYDROLASE, SULFATE ION, fluoroacetic acid
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-17
公開日2013-10-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure of a Putative Epoxide Hydrolase Mutant
To be Published
4B9E
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BU of 4b9e by Molmil
Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa, with bound MFA.
分子名称: GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-04
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4BAZ
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BU of 4baz by Molmil
Structure of a putative epoxide hydrolase Q244E mutant from Pseudomonas aeruginosa.
分子名称: CHLORIDE ION, GLYCEROL, PROBABLE EPOXIDE HYDROLASE, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-17
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of a Putative Epoxide Hydrolase Q244E Mutant from Pseudomonas Aeruginosa
To be Published
4BAU
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BU of 4bau by Molmil
Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa, with bound MFA
分子名称: CHLORIDE ION, PROBABLE EPOXIDE HYDROLASE, SULFATE ION, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-16
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa, with Bound Mfa
To be Published
4B9A
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BU of 4b9a by Molmil
Structure of a putative epoxide hydrolase from Pseudomonas aeruginosa.
分子名称: GLYCEROL, PROBABLE EPOXIDE HYDROLASE, SULFATE ION
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-03
公開日2013-02-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery.
Acta Crystallogr.,Sect.F, 69, 2013
4BAT
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BU of 4bat by Molmil
Structure of a putative epoxide hydrolase t131d mutant from Pseudomonas aeruginosa.
分子名称: CHLORIDE ION, GLYCEROL, PROBABLE EPOXIDE HYDROLASE, ...
著者Schmidberger, J.W, Schnell, R, Schneider, G.
登録日2012-09-16
公開日2013-10-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure of a Putative Epoxide Hydrolase T131D Mutant from Pseudomonas Aeruginosa.
To be Published
6YL4
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BU of 6yl4 by Molmil
Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
分子名称: 3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide, Bifunctional epoxide hydrolase 2
著者Kramer, J.S, Pogoryelov, D, Hiesinger, K, Proschak, E.
登録日2020-04-06
公開日2020-10-21
最終更新日2021-02-24
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Design, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
J.Med.Chem., 63, 2020
4CFS
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BU of 4cfs by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE
分子名称: 1-H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, D(-)-TARTARIC ACID, ...
著者Bui, S, Steiner, R.A.
登録日2013-11-19
公開日2013-12-04
最終更新日2014-04-02
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Origin of the Proton-Transfer Step in the Cofactor-Free 1-H-3-Hydroxy-4-Oxoquinaldine 2,4- Dioxygenase: Effect of the Basicity of an Active Site His Residue.
J.Biol.Chem., 289, 2014
6Y7A
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BU of 6y7a by Molmil
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
分子名称: CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ...
著者Tarnawski, M, Johnsson, K, Hiblot, J.
登録日2020-02-28
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6Y7B
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BU of 6y7b by Molmil
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate
分子名称: 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid, CHLORIDE ION, Haloalkane dehalogenase
著者Tarnawski, M, Johnsson, K, Hiblot, J.
登録日2020-02-28
公開日2021-03-31
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
6YN2
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BU of 6yn2 by Molmil
Crystal structure of Renilla reniformis luciferase variant RLuc8-W121F/E144Q in complex with a coelenteramide (the postcatalytic enzyme-product complex)
分子名称: ACETATE ION, Coelenterazine h 2-monooxygenase, GLYCEROL, ...
著者Damborsky, J, Marek, M.
登録日2020-04-10
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Engineering the protein dynamics of an ancestral luciferase.
Nat Commun, 12, 2021
4BRZ
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BU of 4brz by Molmil
Haloalkane dehalogenase
分子名称: CHLORIDE ION, HALOALKANE DEHALOGENASE
著者Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A.
登録日2013-06-06
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae.
FEBS Lett., 588, 2014
4C4X
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BU of 4c4x by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with C9
分子名称: 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者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.
登録日2013-09-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Z
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BU of 4c4z by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A8
分子名称: 1-ethyl-3-naphthalen-1-ylurea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者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.
登録日2013-09-09
公開日2014-10-01
最終更新日2021-02-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4C4Y
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BU of 4c4y by Molmil
Crystal structure of human bifunctional epoxide hydroxylase 2 complexed with A4
分子名称: 1-(3-chlorophenyl)-3-(2-methoxyethyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2
著者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.
登録日2013-09-09
公開日2014-10-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献A Combination of Spin Diffusion Methods for the Determination of Protein-Ligand Complex Structural Ensembles.
Angew.Chem.Int.Ed.Engl., 54, 2015
4CCW
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BU of 4ccw by Molmil
Crystal structure of naproxen esterase (carboxylesterase NP) from Bacillus subtilis
分子名称: (2-hydroxyethoxy)acetic acid, CARBOXYL ESTERASE NP
著者Rozeboom, H.J, Godinho, L.F, Nardini, M, Quax, W.J, Dijkstra, B.W.
登録日2013-10-29
公開日2014-01-22
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structures of Two Bacillus Carboxylesterases with Different Enantioselectivities.
Biochim.Biophys.Acta, 1844, 2014
4C6H
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BU of 4c6h by Molmil
Haloalkane dehalogenase with 1-hexanol
分子名称: CHLORIDE ION, HALOALKANE DEHALOGENASE, HEXAN-1-OL, ...
著者Novak, H.R, Sayer, C, Isupov, M, Gotz, D, Spragg, A.M, Littlechild, J.A.
登録日2013-09-18
公開日2014-05-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Biochemical and Structural Characterisation of a Haloalkane Dehalogenase from a Marine Rhodobacteraceae.
FEBS Lett., 588, 2014
6ZCC
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BU of 6zcc by Molmil
X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate
分子名称: ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ...
著者Tarnawski, M, Johnsson, K, Hiblot, J.
登録日2020-06-10
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag.
Biochemistry, 60, 2021
7A43
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BU of 7a43 by Molmil
Fluoroacetate Dehalogenase measured by serial femtosecond crystallography
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase
著者Mehrabi, P, Schulz, E.C, Buecker, R.
登録日2020-08-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021
7A42
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BU of 7a42 by Molmil
Fluoroacetate Dehalogenase measured by serial synchrotron crystallography
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase
著者Mehrabi, P, Schulz, E.C, Buecker, R.
登録日2020-08-19
公開日2021-04-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Serial femtosecond and serial synchrotron crystallography can yield data of equivalent quality: A systematic comparison.
Sci Adv, 7, 2021

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