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PDB: 90 件
1SLY
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BU of 1sly by Molmil
COMPLEX OF THE 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE WITH BULGECIN A
分子名称: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE
著者Thunnissen, A.M.W.H, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W.
登録日1995-08-02
公開日1996-08-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 70-kDa soluble lytic transglycosylase complexed with bulgecin A. Implications for the enzymatic mechanism.
Biochemistry, 34, 1995
9GKT
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BU of 9gkt by Molmil
Crystal structure of artificial enzyme LmrR_pAF variant RGN
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Leveson-Gower, R.B, Rozeboom, H.J, Roelfes, G.
登録日2024-08-26
公開日2025-02-26
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Evolutionary Specialization of a Promiscuous Designer Enzyme.
Acs Catalysis, 15, 2025
8QDH
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BU of 8qdh by Molmil
Engineered LmrR carrying a cyclic boronate ester formed between Tris and p-boronophenylalanine at position 89
分子名称: GLYCEROL, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
登録日2023-08-29
公開日2024-05-01
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Boron catalysis in a designer enzyme.
Nature, 629, 2024
8QDF
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BU of 8qdf by Molmil
Engineered LmrR with Met-89 replaced by para-boronophenylalanine
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
登録日2023-08-29
公開日2024-05-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Boron catalysis in a designer enzyme.
Nature, 629, 2024
4X1C
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BU of 4x1c by Molmil
Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution
分子名称: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2014-11-24
公開日2015-03-11
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
4X19
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BU of 4x19 by Molmil
Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom
分子名称: 2-hydroxymuconate tautomerase, COBALT HEXAMMINE(III)
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2014-11-24
公開日2015-03-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.944 Å)
主引用文献Evidence for the Formation of an Enamine Species during Aldol and Michael-type Addition Reactions Promiscuously Catalyzed by 4-Oxalocrotonate Tautomerase.
Chembiochem, 16, 2015
7P76
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BU of 7p76 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde
分子名称: (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
登録日2021-07-19
公開日2021-10-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
7P75
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BU of 7p75 by Molmil
Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions in substrate-free state
分子名称: Deoxyribose-phosphate aldolase
著者Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J.
登録日2021-07-19
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution.
Acs Catalysis, 11, 2021
5CLO
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BU of 5clo by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
分子名称: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
5CLN
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BU of 5cln by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant at 2.7 Angstrom
分子名称: 2-hydroxymuconate tautomerase
著者Thunnissen, A.M.W.H, Poddar, H.
登録日2015-07-16
公開日2016-03-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
7QZ6
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BU of 7qz6 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5-fluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ8
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BU of 7qz8 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ7
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BU of 7qz7 by Molmil
Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5,6,7-trifluoroTrp
分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ9
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BU of 7qz9 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QZ5
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BU of 7qz5 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H.
登録日2022-01-30
公開日2022-11-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
9G51
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BU of 9g51 by Molmil
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-mercaptophenylalanine, apo
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Aalbers, F.S, Veen, M.J, Rozeboom, H.J, Roelfes, G.
登録日2024-07-16
公開日2024-12-25
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Artificial Gold Enzymes Using a Genetically Encoded Thiophenol-Based Noble-Metal-Binding Ligand.
Angew.Chem.Int.Ed.Engl., 64, 2025
9G52
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BU of 9g52 by Molmil
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-mercaptophenylalanine, Au(I) bound
分子名称: GOLD ION, Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Aalbers, F.S, Veen, M.J, Rozeboom, H.J, Roelfes, G.
登録日2024-07-16
公開日2024-12-25
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Artificial Gold Enzymes Using a Genetically Encoded Thiophenol-Based Noble-Metal-Binding Ligand.
Angew.Chem.Int.Ed.Engl., 64, 2025
9FD8
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BU of 9fd8 by Molmil
Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase, Schiff-base complex with 4-chloro-cinnamaldehyde
分子名称: (2E)-3-(4-chlorophenyl)prop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL
著者Thunnissen, A.M.W.H, Zhou, H, Frietema, H.O.T, Poelarends, G.J.
登録日2024-05-16
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Engineering 2-Deoxy-D-ribose-5-phosphate Aldolase for anti- and syn-Selective Epoxidations of alpha , beta-Unsaturated Aldehydes.
Angew.Chem.Int.Ed.Engl., 2025
9FD7
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BU of 9fd7 by Molmil
Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase in substrate-free state
分子名称: Deoxyribose-phosphate aldolase, GLYCEROL
著者Thunnissen, A.M.W.H, Zhou, H, Frietema, H.O.T, Poelarends, G.J.
登録日2024-05-16
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Engineering 2-Deoxy-D-ribose-5-phosphate Aldolase for anti- and syn-Selective Epoxidations of alpha , beta-Unsaturated Aldehydes.
Angew.Chem.Int.Ed.Engl., 2025
9FD9
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BU of 9fd9 by Molmil
Re-engineered peroxygenase variant of 2-deoxy-D-ribose-5-phosphate aldolase, Schiff-base complex with 4-nitro-cinnamaldehyde
分子名称: 4-nitro-cinnamaldehyde, Deoxyribose-phosphate aldolase, GLYCEROL
著者Thunnissen, A.M.W.H, Zhou, H, Frietema, H.O.T, Poelarends, G.J.
登録日2024-05-16
公開日2025-03-12
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Engineering 2-Deoxy-D-ribose-5-phosphate Aldolase for anti- and syn-Selective Epoxidations of alpha , beta-Unsaturated Aldehydes.
Angew.Chem.Int.Ed.Engl., 2025
9H9X
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BU of 9h9x by Molmil
Crystal structure of metal-free LmrR_V15Bpy in a closed state
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
登録日2024-11-01
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025
9HA0
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BU of 9ha0 by Molmil
Crystal structure of Cu(II)-bound LmrR_V15Bpy variant BVS
分子名称: COPPER (II) ION, GLYCEROL, IMIDAZOLE, ...
著者Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
登録日2024-11-01
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025
9GKR
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BU of 9gkr by Molmil
Crystal structure of artificial enzyme LmrR_pAF variant RMH in crystal form 1
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Leveson-Gower, R.B, Rozeboom, H.J, Roelfes, G.
登録日2024-08-26
公開日2025-02-26
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Evolutionary Specialization of a Promiscuous Designer Enzyme.
Acs Catalysis, 15, 2025
9GKS
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BU of 9gks by Molmil
Crystal structure of artificial enzyme LmrR_pAF variant RMH in crystal form 2
分子名称: Transcriptional regulator, PadR-like family
著者Thunnissen, A.M.W.H, Leveson-Gower, R.B, Rozeboom, H.J, Roelfes, G.
登録日2024-08-26
公開日2025-02-26
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Evolutionary Specialization of a Promiscuous Designer Enzyme.
Acs Catalysis, 15, 2025
9H9Z
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BU of 9h9z by Molmil
Crystal structure of Cu(II)-bound LmrR_V15Bpy
分子名称: COPPER (II) ION, MALONATE ION, Transcriptional regulator, ...
著者Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
登録日2024-11-01
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025

 

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