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Beilstein J. Org. Chem. 2022, 18, 972–978, doi:10.3762/bjoc.18.97
Graphical Abstract
Figure 1: Summary of yields of HP and IE products in hydropyrene synthase.
Scheme 1: Proposed mechanism for HP and IE routes.
Figure 2: Free energy profile of hydropyrene cation (a), and IE cation (b) formation in the gas phase. The fr...
Figure 3: Structures of intermediates C‘ and C. The distance between the double bond and the cation in interm...
Beilstein J. Org. Chem. 2020, 16, 50–59, doi:10.3762/bjoc.16.7
Scheme 1: Mechanism for formation of cyclooctat-9-en-7-ol, published similarly in [42].
Figure 1: Computed electronic energy profiles (kcal/mol) for the CotB2 cyclase mechanism. The calculations us...
Figure 2: Intermediates A–I in the active site model. Interactions are marked by dashed orange lines, the int...
Figure 3: TS structures TS_A_B–TS_G/H_I in the active site model. Interactions are marked by dashed orange li...
Figure 4: Comparison between gas phase and active site model conformations. A) Intermediate D. B) Intermediat...
Beilstein J. Org. Chem. 2019, 15, 2355–2368, doi:10.3762/bjoc.15.228
Figure 1: CotB1 synthesizes geranylgeranyl diphosphate (GGDP) 3 from the substrates dimethylallyl diphosphate...
Figure 2: The bacterial diterpene synthase CotB2wt·Mg2+3·F-Dola in the closed, active conformation (PDB-ID 6G...
Figure 3: Conformational changes of CotB2 upon ligand binding. Superposition of CotB2’s open (teal), pre-cata...
Figure 4: View into the active site of CotB2wt·Mg2+3·F-Dola [37] superimposed with CotB2wt·Mg2+B·GGSDP [36]. (A) The ...
Figure 5: View into the active site of CotB2wt·Mg2+3·F-Dola [37]. Identical view as in Figure 4. (A) The bound F-Dola rea...
Figure 6: The WXXXXXRY motif in protein sequences of diterpene TPS from different bacteria. Highlighted is th...
Scheme 1: Overview of the altered product portfolio as a result of introduced point mutations in the active s...
Scheme 2: Catalytic mechanism of CotB2, derived from isotope labeling experiments [34,35], density functional theory...
Figure 7: (A) The inner surface of the active site is shown in gray. The bound F-Dola reaction intermediate i...
Scheme 3: Variants of CotB2 open the route to a novel product portfolio with altered cyclic carbon skeletons,...