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6GXF
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BU of 6gxf by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography: RADDAM1
分子名称: Fluoroacetate dehalogenase
著者Schulz, E.C, Mehrabi, P, Mueller-Werkmeister, H, Tellkamp, F, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E.F, Miller, R.J.D.
登録日2018-06-27
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
4KAC
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BU of 4kac by Molmil
X-Ray Structure of the complex HaloTag2 with HALTS. Northeast Structural Genomics Consortium (NESG) Target OR150.
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, AMMONIUM ION, Haloalkane dehalogenase, ...
著者Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-22
公開日2013-06-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Northeast Structural Genomics Consortium Target OR150
To be Published
4KAJ
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BU of 4kaj by Molmil
X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ...
著者Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-22
公開日2013-06-05
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.948 Å)
主引用文献Northeast Structural Genomics Consortium Target OR151
To be Published
7AL5
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BU of 7al5 by Molmil
Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Feiler, C.G, Blankenfeldt, W.
登録日2020-10-05
公開日2020-11-11
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of the selenomethionine substituted hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
7AL6
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BU of 7al6 by Molmil
Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Probable hydrolase, ...
著者Feiler, C.G, Blankenfeldt, W.
登録日2020-10-05
公開日2020-10-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of the hypothetical protein PA1622 from Pseudomonas aeruginosa PAO1
To Be Published
7M7C
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BU of 7m7c by Molmil
Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine)
分子名称: Carboxylesterase A
著者Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D.
登録日2021-03-27
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c)
To Be Published
7AVR
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BU of 7avr by Molmil
The tetrameric structure of haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2
分子名称: CHLORIDE ION, Haloalkane dehalogenase 1
著者Mazur, A, Kolenko, P, Prudnikova, T, Grinkevich, P, Kuta Smatanova, I.
登録日2020-11-05
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The tetrameric structure of the novel haloalkane dehalogenase DpaA from Paraglaciecola agarilytica NO2.
Acta Crystallogr D Struct Biol, 77, 2021
4L9A
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BU of 4l9a by Molmil
Crystal structure of Smu.1393c from cariogenic pathogen Streptococcus mutans
分子名称: GLYCEROL, Putative uncharacterized protein Smu.1393c
著者Wang, Z, Li, L, Su, X.-D.
登録日2013-06-18
公開日2013-07-17
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterization of a novel alpha / beta hydrolase from cariogenic pathogen Streptococcus mutans.
Proteins, 82, 2014
4LIP
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BU of 4lip by Molmil
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-DIBUTYLCARBAMOYLGLYCERO-3-O-BUTYLPHOSPHONATE
分子名称: BUTYLPHOSPHONATE, CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
著者Lang, D.A, Dijkstra, B.W.
登録日1997-08-18
公開日1998-08-19
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of the chiral selectivity of Pseudomonas cepacia lipase
Eur.J.Biochem., 254, 1998
7COF
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BU of 7cof by Molmil
Cholesterol esterase from Burkholderia stabilis (orthorhombic crystal form)
分子名称: Alpha/beta hydrolase, CALCIUM ION, GLYCEROL, ...
著者Yasutake, Y, Tamura, T.
登録日2020-08-04
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.084 Å)
主引用文献Bacterial triacylglycerol lipase is a potential cholesterol esterase: Identification of a key determinant for sterol-binding specificity.
Int.J.Biol.Macromol., 167, 2021
7NFZ
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BU of 7nfz by Molmil
Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ...
著者Marek, M.
登録日2021-02-08
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Crystal structure of haloalkane dehalogenase LinB57 mutant (H272F) from Sphingobium japonicum UT26
To Be Published
7CLZ
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BU of 7clz by Molmil
Crystal structure of Alp1U W187F/Y247F in complex with fluostatin C
分子名称: BORIC ACID, D-MALATE, Fluostatin C, ...
著者Zhang, L, De, B.C.
登録日2020-07-22
公開日2020-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.10001016 Å)
主引用文献Mutation of an atypical oxirane oxyanion hole improves regioselectivity of the alpha / beta-fold epoxide hydrolase Alp1U.
J.Biol.Chem., 295, 2020
7COG
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BU of 7cog by Molmil
Cholesterol esterase from Burkholderia stabilis (monoclinic crystal form)
分子名称: Alpha/beta hydrolase, CALCIUM ION
著者Yasutake, Y, Tamura, T.
登録日2020-08-04
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Bacterial triacylglycerol lipase is a potential cholesterol esterase: Identification of a key determinant for sterol-binding specificity.
Int.J.Biol.Macromol., 167, 2021
7OND
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BU of 7ond by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase, ...
著者Stein, A, Liang, A.D.
登録日2021-05-25
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7OO4
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BU of 7oo4 by Molmil
HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridine Dye
分子名称: 4-[(E)-2-[1-(7-chloranylheptyl)pyridin-1-ium-4-yl]ethenyl]-N,N-dimethyl-aniline, CHLORIDE ION, Haloalkane dehalogenase
著者Stein, A, Liang, A.D.
登録日2021-05-26
公開日2021-07-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HaloTag Engineering for Enhanced Fluorogenicity and Kinetics with a Styrylpyridium Dye.
Chembiochem, 22, 2021
7C4D
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BU of 7c4d by Molmil
Marine microorganism esterase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ...
著者Zhu, C.H, Wu, Y.K, Isupov, M.N.
登録日2020-05-16
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
7O3O
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BU of 7o3o by Molmil
Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus rhodochrous with ionic liquid
分子名称: CHLORIDE ION, ETHANOLAMINE, Haloalkane dehalogenase
著者Shaposhnikova, A, Prudnikova, T, Kuta Smatanova, I.
登録日2021-04-02
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
Crystals, 11, 2021
7O8B
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BU of 7o8b by Molmil
Structure of haloalkane dehalogenase variant DhaA80 from Rhodococcus rhodochrous
分子名称: Haloalkane dehalogenase, methyl sulfate
著者Shaposhnikova, A, Prudnikova, T, Kuta Smatanova, I.
登録日2021-04-15
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Stabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
Crystals, 11, 2021
7CG2
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BU of 7cg2 by Molmil
Vigna radiata Epoxide hydrolase mutant
分子名称: Epoxide hydrolase
著者Li, F.L, Yu, H.L, Xu, J.H.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7CG6
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BU of 7cg6 by Molmil
Vigna radiata Epoxide hydrolase mutant M263Q
分子名称: Epoxide hydrolase
著者Li, F.L, Yu, H.L, Xu, J.H.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Reprogramming Epoxide Hydrolase to Improve Enantioconvergence in Hydrolysis of Styrene Oxide Scaffolds
Adv.Synth.Catal., 362, 2021
7D78
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BU of 7d78 by Molmil
The structure of thioesterase DcsB
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
著者Tang, Y, Zhou, J.H, Wang, G.Q.
登録日2020-10-03
公開日2021-01-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.96543121 Å)
主引用文献A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7D79
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BU of 7d79 by Molmil
The structure of DcsB complex with its substrate analogue
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DltD domain-containing protein, ...
著者Tang, Y, Zhou, J.H, Wang, G.Q.
登録日2020-10-03
公開日2021-01-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.10411429 Å)
主引用文献A Polyketide Cyclase That Forms Medium-Ring Lactones.
J.Am.Chem.Soc., 143, 2021
7OKZ
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BU of 7okz by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL- QUINOLIN-4(1H)-ONE UNDER HYPEROXIC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, D(-)-TARTARIC ACID, ...
著者Bui, S, Steiner, R.A.
登録日2021-05-18
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023
7OMD
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BU of 7omd by Molmil
Crystal structure of azacoelenterazine-bound Renilla reniformis luciferase variant RLuc8-D162A
分子名称: 6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one, CHLORIDE ION, Coelenterazine h 2-monooxygenase, ...
著者Schenkmayerova, A, Janin, Y.L, Marek, M.
登録日2021-05-21
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Catalytic mechanism for Renilla-type luciferases
Nat Catal, 2023
7OJM
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BU of 7ojm by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) CATALYTICALLY INACTIVE H251A VARIANT COMPLEXED WITH 2-METHYL-QUINOLIN-4(1H)-ONE UNDER NORMOXIC CONDITIONS
分子名称: 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-methyl-quinolin-4(1H)-one, GLYCEROL, ...
著者Bui, S, Steiner, R.A.
登録日2021-05-16
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold.
Chem Sci, 14, 2023

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