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6J1S
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BU of 6j1s by Molmil
Crystal structure of Candida Antarctica Lipase B mutant - SS
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Lipase B, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
6IZD
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BU of 6izd by Molmil
Crystal structure of the chromosome-encoded beta-lactamase mutant R168H/M221I of Vibrio parahaemolyticus
分子名称: Beta-lactamase, GLYCEROL
著者Ma, Q, Li, P.
登録日2018-12-19
公開日2019-12-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural analysis of the CARB beta-lactamase from Vibrio parahaemolyticus facilitates application of the beta-lactam/ beta-lactamase inhibitor therapy.
Biochimie, 171-172, 2020
6J1T
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BU of 6j1t by Molmil
Crystal structure of Candida Antarctica Lipase B mutant SR with product analogue
分子名称: (2S)-2-phenyl-N-[(1R)-1-phenylethyl]propanamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-12-29
公開日2020-01-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Stereodivergent Protein Engineering of a Lipase To Access All Possible Stereoisomers of Chiral Esters with Two Stereocenters.
J.Am.Chem.Soc., 141, 2019
7PKX
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BU of 7pkx by Molmil
Crystal structure of a DyP-type peroxidase from Bacillus subtilis in P3121 space group
分子名称: Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE
著者Borges, P.T, Rodrigues, C, Silva, D, Taborda, A, Brissos, V, Frazao, C, Martins, L.O.
登録日2021-08-27
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.491 Å)
主引用文献Loops around the Heme Pocket Have a Critical Role in the Function and Stability of Bs DyP from Bacillus subtilis .
Int J Mol Sci, 22, 2021
6ISQ
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BU of 6isq by Molmil
structure of Lipase mutant with oxided Cys-His-Asp catalytic triad
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ISOPROPYL ALCOHOL, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-11-18
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
6ISR
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BU of 6isr by Molmil
structure of lipase mutant with Cys-His-Asp catalytic triad
分子名称: DI(HYDROXYETHYL)ETHER, Lipase B, NICKEL (II) ION, ...
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-11-18
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
2LZE
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BU of 2lze by Molmil
Ligase 10C
分子名称: ZINC ION, a primordial catalytic fold generated by in vitro evolution
著者Chao, F, Morelli, A, Haugner, J, Churchfield, L, Hagmann, L, Shi, L, Masterson, L, Sarangi, R, Veglia, G, Seelig, B.
登録日2012-10-01
公開日2012-10-24
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and dynamics of a primordial catalytic fold generated by in vitro evolution.
Nat.Chem.Biol., 9, 2013
6TTD
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BU of 6ttd by Molmil
Crystal structure of McoA multicopper oxidase 2F4 variant from the hyperthermophile Aquifex aeolicus
分子名称: COPPER (II) ION, GLYCEROL, Multicopper oxidase, ...
著者Borges, P.T, Brissos, V, Cordeiro, T.N, Martins, L.O, Frazao, C.
登録日2019-12-26
公開日2021-04-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase
Acs Catalysis, 2022
4ITG
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BU of 4itg by Molmil
P113S mutant of E. coli Cystathionine beta-lyase MetC
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cystathionine beta-lyase MetC
著者Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
登録日2013-01-18
公開日2014-12-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
4ITX
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BU of 4itx by Molmil
P113S mutant of E. coli Cystathionine beta-lyase MetC inhibited by reaction with L-Ala-P
分子名称: CALCIUM ION, Cystathionine beta-lyase MetC, {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID
著者Squire, C.J, Yosaatmadja, Y, Soo, V.W.C, Patrick, W.M.
登録日2013-01-19
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
6S8V
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BU of 6s8v by Molmil
Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain
分子名称: 1,2-ETHANEDIOL, 4F2 cell-surface antigen heavy chain, Neutrophil gelatinase-associated lipocalin
著者Schiefner, A, Deuschle, F.-C, Skerra, A.
登録日2019-07-10
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a high affinity Anticalin®directed against human CD98hc for theranostic applications.
Theranostics, 10, 2020
5TOF
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BU of 5tof by Molmil
Room temperature structure of ubiquitin variant u7ub25
分子名称: Polyubiquitin-B, SULFATE ION
著者Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S.
登録日2016-10-17
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.
Structure, 25, 2017
5TOG
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BU of 5tog by Molmil
Room temperature structure of ubiquitin variant u7ub25.2540
分子名称: Polyubiquitin-B, SULFATE ION
著者Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S.
登録日2016-10-17
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.
Structure, 25, 2017
8TNR
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BU of 8tnr by Molmil
Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 2
分子名称: 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ...
著者Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
登録日2023-08-02
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
8TNQ
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BU of 8tnq by Molmil
Cryo-EM structure of DDB1dB:CRBN:PT-179:SD40, conformation 1
分子名称: 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-(morpholin-4-yl)-1H-isoindole-1,3(2H)-dione, DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, ...
著者Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
登録日2023-08-02
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.41 Å)
主引用文献Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
8TNP
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BU of 8tnp by Molmil
Cryo-EM structure of DDB1dB:CRBN:Pomalidomide:SD40
分子名称: DNA damage-binding protein 1, Maltose/maltodextrin-binding periplasmic protein,SD40, Protein cereblon, ...
著者Roy Burman, S.S, Hunkeler, M, Fischer, E.S.
登録日2023-08-02
公開日2024-03-13
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Continuous evolution of compact protein degradation tags regulated by selective molecular glues.
Science, 383, 2024
4WR3
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BU of 4wr3 by Molmil
Y274F alanine racemase from E. coli
分子名称: Alanine racemase, biosynthetic, GLYCEROL, ...
著者Squire, C.J, Yosaatmadja, Y, Patrick, W.M.
登録日2014-10-23
公開日2015-11-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
5AJ9
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BU of 5aj9 by Molmil
G7 mutant of PAS, arylsulfatase from Pseudomonas Aeruginosa
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ARYLSULFATASE, CALCIUM ION, ...
著者Miton, C.M, Fischer, G, Jonas, S, Mohammed, M.F, Loo, B.v, Kintses, B, Hyvonen, M, Tokuriki, N, Hollfelder, F.
登録日2015-02-20
公開日2016-03-16
最終更新日2019-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evolutionary repurposing of a sulfatase: A new Michaelis complex leads to efficient transition state charge offset.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4XBJ
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BU of 4xbj by Molmil
Y274F alanine racemase from E. coli inhibited by l-ala-p
分子名称: Alanine racemase, biosynthetic, SULFATE ION, ...
著者Squire, C.J, Yosaatmadja, Y, Patrick, W.M.
登録日2014-12-17
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Mechanistic and Evolutionary Insights from the Reciprocal Promiscuity of Two Pyridoxal Phosphate-dependent Enzymes.
J.Biol.Chem., 291, 2016
7QLS
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BU of 7qls by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE
分子名称: 2-(3,4-dimethoxyphenyl)ethanamide, ADENOSINE-5-DIPHOSPHORIBOSE, FE (III) ION, ...
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QNH
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BU of 7qnh by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ...
著者Sridhar, S, Kiema, T.R, Wierenga, R.K, Widersten, M.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QLG
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BU of 7qlg by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V COMPLEXED WITH FE, NADH, AND GLYCEROL
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE (III) ION, GLYCEROL, ...
著者Sridhar, S, Kiema, T.R, Widertsen, M, Wierenga, R.K.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
7QLQ
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BU of 7qlq by Molmil
CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, AND DIMETHOXYPHENYL ACETAMIDE
分子名称: 2-(3,4-dimethoxyphenyl)ethanamide, ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, ...
著者Sridhar, S, Kiema, T.R, Widersten, M, Wierenga, R.K.
登録日2021-12-20
公開日2022-12-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structures and kinetic studies of a laboratory evolved aldehyde reductase explain the dramatic shift of its new substrate specificity.
Iucrj, 10, 2023
4LRB
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BU of 4lrb by Molmil
Phosphopentomutase S154G variant soaked with 2,3-dideoxyribose 5-phosphate
分子名称: 2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose, ACETATE ION, GLYCEROL, ...
著者Birmingham, W.A, Starbird, C.A, Panosian, T.D, Nannemann, D.P, Iverson, T.M, Bachmann, B.O.
登録日2013-07-19
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Bioretrosynthetic construction of a didanosine biosynthetic pathway.
Nat.Chem.Biol., 10, 2014
6CUN
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BU of 6cun by Molmil
Engineered Cytochrome c from Rhodothermus marinus (Rma TDE) bound to carbene intermediate (1-ethoxy-1-oxopropan-2-ylidene)
分子名称: Cytochrome c, ETHYL PROPIONATE, HEME C
著者Lewis, R.D, Buller, A.R, Arnold, F.H.
登録日2018-03-26
公開日2018-06-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Catalytic iron-carbene intermediate revealed in a cytochromeccarbene transferase.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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