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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
Descriptor: GLYCEROL, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
Deposit date:2023-08-29
Release date:2024-05-01
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.72 Å)
Cite: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
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Rozeboom, H.J, Longwitz, L, Leveson-Gower, R.B, Roelfes, G.
Deposit date:2023-08-29
Release date:2024-05-01
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Boron catalysis in a designer enzyme.
Nature, 629, 2024
9G51
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BU of 9g51 by Molmil
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-mercaptophenylalanine, apo
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Aalbers, F.S, Veen, M.J, Rozeboom, H.J, Roelfes, G.
Deposit date:2024-07-16
Release date:2024-12-25
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.35 Å)
Cite: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
Descriptor: GOLD ION, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Aalbers, F.S, Veen, M.J, Rozeboom, H.J, Roelfes, G.
Deposit date:2024-07-16
Release date:2024-12-25
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Artificial Gold Enzymes Using a Genetically Encoded Thiophenol-Based Noble-Metal-Binding Ligand.
Angew.Chem.Int.Ed.Engl., 64, 2025
9GTV
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BU of 9gtv by Molmil
Crystal structure of RamR with Tyr59 replaced with para-boronophenylalanine (boronate form)
Descriptor: Transcriptional regulator RamR
Authors:Longwitz, L, Brouwer, B, Thunnissen, A.M.W.H, Roelfes, G.
Deposit date:2024-09-18
Release date:2024-12-25
Last modified:2025-01-08
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Boron Designer Enzyme with a Hybrid Catalytic Dyad.
Acs Catalysis, 14, 2024
9GKT
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BU of 9gkt by Molmil
Crystal structure of artificial enzyme LmrR_pAF variant RGN
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Leveson-Gower, R.B, Rozeboom, H.J, Roelfes, G.
Deposit date:2024-08-26
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Evolutionary Specialization of a Promiscuous Designer Enzyme.
Acs Catalysis, 15, 2025
9GKR
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BU of 9gkr by Molmil
Crystal structure of artificial enzyme LmrR_pAF variant RMH in crystal form 1
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Leveson-Gower, R.B, Rozeboom, H.J, Roelfes, G.
Deposit date:2024-08-26
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite: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
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Leveson-Gower, R.B, Rozeboom, H.J, Roelfes, G.
Deposit date:2024-08-26
Release date:2025-02-26
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Evolutionary Specialization of a Promiscuous Designer Enzyme.
Acs Catalysis, 15, 2025
9H9X
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BU of 9h9x by Molmil
Crystal structure of metal-free LmrR_V15Bpy in a closed state
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
Deposit date:2024-11-01
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025
9H9Y
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BU of 9h9y by Molmil
Crystal structure of metal-free LmrR_V15Bpy variant BVS in a closed state
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
Deposit date:2024-11-01
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: COPPER (II) ION, GLYCEROL, IMIDAZOLE, ...
Authors:Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
Deposit date:2024-11-01
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025
9H9W
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BU of 9h9w by Molmil
Crystal structure of metal-free LmrR_V15Bpy in an open state
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
Deposit date:2024-11-01
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025
9H9Z
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BU of 9h9z by Molmil
Crystal structure of Cu(II)-bound LmrR_V15Bpy
Descriptor: COPPER (II) ION, MALONATE ION, Transcriptional regulator, ...
Authors:Thunnissen, A.M.W.H, Jiang, R, Casilli, F, Aalbers, F, Roelfes, G.
Deposit date:2024-11-01
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An artificial copper-Michaelase featuring a genetically encoded bipyridine ligand for asymmetric additions to nitroalkenes.
Angew.Chem.Int.Ed.Engl., 2025
6I8N
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BU of 6i8n by Molmil
Crystal structure of LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenylalanine
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Transcriptional regulator, PadR-like family
Authors:Reddem, R, Thunnissen, A.M.W.H.
Deposit date:2018-11-20
Release date:2019-01-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Directed Evolution of a Designer Enzyme Featuring an Unnatural Catalytic Amino Acid.
Angew. Chem. Int. Ed. Engl., 58, 2019
6R1L
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BU of 6r1l by Molmil
Crystal structure of LmrR with bound copper phenanthroline
Descriptor: 1,10-PHENANTHROLINE, COPPER (II) ION, Transcriptional regulator, ...
Authors:Reddem, R, Thunnissen, A.M.W.H.
Deposit date:2019-03-14
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.
Acs Catalysis, 10, 2020
6FUU
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BU of 6fuu by Molmil
Transcriptional regulator LmrR with bound heme
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Transcriptional regulator PadR family
Authors:Reddem, E.R, Thunnissen, A.M.W.H.
Deposit date:2018-02-27
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An Artificial Heme Enzyme for Cyclopropanation Reactions.
Angew. Chem. Int. Ed. Engl., 57, 2018

234785

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