5CLN
 
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4X19
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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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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
 | | 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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7QZ8
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7QZ7
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7QZ9
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7QZ6
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7QZ5
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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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5OFQ
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4U5R
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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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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
 | | 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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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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6I8N
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6GK6
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3L6H
 | | Crystal structure of lactococcal OpuAC in its closed-liganded conformation complexed with glycine betaine | | Descriptor: | Betaine ABC transporter permease and substrate binding protein, CHLORIDE ION, TRIMETHYL GLYCINE | | Authors: | Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. | | Deposit date: | 2009-12-23 | | Release date: | 2010-05-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
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3L6G
 | | Crystal structure of lactococcal OpuAC in its open conformation | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine ABC transporter permease and substrate binding protein | | Authors: | Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. | | Deposit date: | 2009-12-23 | | Release date: | 2010-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA.
Plos One, 5, 2010
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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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6TB1
 | | Crystal structure of thermostable omega transaminase 6-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 (1.85 Å) | | Cite: | Robust omega-Transaminases by Computational Stabilization of the Subunit Interface.
Acs Catalysis, 10, 2020
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