7P76
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![BU of 7p76 by Molmil](/molmil-images/mine/7p76) | Re-engineered 2-deoxy-D-ribose-5-phosphate aldolase catalysing asymmetric Michael addition reactions, Schiff base complex with cinnamaldehyde | Descriptor: | (2E)-3-phenylprop-2-enal, Deoxyribose-phosphate aldolase, GLYCEROL | Authors: | Thunnissen, A.M.W.H, Rozeboom, H.J, Kunzendorf, A, Poelarends, G.J. | Deposit date: | 2021-07-19 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Unlocking Asymmetric Michael Additions in an Archetypical Class I Aldolase by Directed Evolution. Acs Catalysis, 11, 2021
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7P75
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7QZ6
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![BU of 7qz6 by Molmil](/molmil-images/mine/7qz6) | |
7QZ8
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7QZ7
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![BU of 7qz7 by Molmil](/molmil-images/mine/7qz7) | |
7QZ9
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7QZ5
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1DM2
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![BU of 1dm2 by Molmil](/molmil-images/mine/1dm2) | HUMAN CYCLIN-DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR HYMENIALDISINE | Descriptor: | 1,2-ETHANEDIOL, 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE, CYCLIN-DEPENDENT KINASE 2 | Authors: | Thunnissen, A.M, Kim, S.-H. | Deposit date: | 1999-12-13 | Release date: | 2000-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition of cyclin-dependent kinases, GSK-3beta and CK1 by hymenialdisine, a marine sponge constituent. Chem.Biol., 7, 2000
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8QDH
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![BU of 8qdh by Molmil](/molmil-images/mine/8qdh) | 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
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8QDF
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![BU of 8qdf by Molmil](/molmil-images/mine/8qdf) | 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: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Boron catalysis in a designer enzyme. Nature, 629, 2024
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4X1C
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4X19
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5CLN
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5CLO
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1SLY
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![BU of 1sly by Molmil](/molmil-images/mine/1sly) | COMPLEX OF THE 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE WITH BULGECIN A | Descriptor: | 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, 70-KDA SOLUBLE LYTIC TRANSGLYCOSYLASE | Authors: | Thunnissen, A.M.W.H, Kalk, K.H, Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 1995-08-02 | Release date: | 1996-08-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the 70-kDa soluble lytic transglycosylase complexed with bulgecin A. Implications for the enzymatic mechanism. Biochemistry, 34, 1995
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7B4J
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![BU of 7b4j by Molmil](/molmil-images/mine/7b4j) | Thermostable omega transaminase PjTA-R6 variant W58M/F86L/R417L engineered for asymmetric synthesis of enantiopure bulky amines | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, SUCCINIC ACID | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2020-12-02 | Release date: | 2021-09-01 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines. Acs Catalysis, 11, 2021
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7B4I
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![BU of 7b4i by Molmil](/molmil-images/mine/7b4i) | Thermostable omega transaminase PjTA-R6 variant W58G engineered for asymmetric synthesis of enantiopure bulky amines | Descriptor: | Aspartate aminotransferase family protein, PYRIDOXAL-5'-PHOSPHATE, SUCCINIC ACID | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2020-12-02 | Release date: | 2021-09-01 | Last modified: | 2021-09-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational Redesign of an omega-Transaminase from Pseudomonas jessenii for Asymmetric Synthesis of Enantiopure Bulky Amines. Acs Catalysis, 11, 2021
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5OFQ
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4U5P
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![BU of 4u5p by Molmil](/molmil-images/mine/4u5p) | Crystal structure of native RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at 1.78 Angstrom | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Poddar, H, Rozeboom, H.J, Thunnissen, A.M.W.H. | Deposit date: | 2014-07-25 | Release date: | 2015-02-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.782 Å) | Cite: | Functional and structural characterization of an unusual cofactor-independent oxygenase. Biochemistry, 54, 2015
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4U5R
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7PUO
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![BU of 7puo by Molmil](/molmil-images/mine/7puo) | Structure of a fused 4-OT variant engineered for asymmetric Michael addition reactions | Descriptor: | 2-hydroxymuconate tautomerase,Chains: A,B,C,D,E,F,2-hydroxymuconate tautomerase, CHLORIDE ION, GLYCEROL | Authors: | Rozeboom, H.J, Thunnissen, A.M.W.H, Poelarends, G.J. | Deposit date: | 2021-09-30 | Release date: | 2022-01-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Gene Fusion and Directed Evolution to Break Structural Symmetry and Boost Catalysis by an Oligomeric C-C Bond-Forming Enzyme. Angew.Chem.Int.Ed.Engl., 61, 2022
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7QQJ
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![BU of 7qqj by Molmil](/molmil-images/mine/7qqj) | Sucrose phosphorylase from Jeotgalibaca ciconiae | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Sucrose phosphorylase | Authors: | Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2022-01-08 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Sucrose phosphorylase from Jeotgalibaca ciconiae To Be Published
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7QQI
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![BU of 7qqi by Molmil](/molmil-images/mine/7qqi) | Sucrose phosphorylase from Faecalibaculum rodentium | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aamy domain-containing protein | Authors: | Ubiparip, Z, Capra, N, Rozeboom, H.J, Desmet, T, Thunnissen, A.M.W.H. | Deposit date: | 2022-01-08 | Release date: | 2023-01-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Sucrose phosphorylase from Faecalibaculum rodentium To Be Published
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1CKP
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![BU of 1ckp by Molmil](/molmil-images/mine/1ckp) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR PURVALANOL B | Descriptor: | 1,2-ETHANEDIOL, PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2), PURVALANOL B | Authors: | Gray, N.S, Thunnissen, A.M.W.H, Schultz, P.G, Kim, S.H. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Exploiting chemical libraries, structure, and genomics in the search for kinase inhibitors. Science, 281, 1998
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6TB0
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![BU of 6tb0 by Molmil](/molmil-images/mine/6tb0) | Crystal structure of thermostable omega transaminase 4-fold mutant from Pseudomonas jessenii | Descriptor: | Aspartate aminotransferase family protein, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Capra, N, Rozeboom, H.J, Thunnissen, A.M.W.H, Janssen, D.B. | Deposit date: | 2019-10-31 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface. Acs Catalysis, 10, 2020
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