3F6E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f6e by Molmil](/molmil-images/mine/3f6e) | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor 3-PKB | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | Deposit date: | 2008-11-05 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase. Biochemistry, 48, 2009
|
|
3F6B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3f6b by Molmil](/molmil-images/mine/3f6b) | Crystal structure of benzoylformate decarboxylase in complex with the pyridyl inhibitor PAA | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-[(1S,2E)-1-hydroxy-3-pyridin-3-ylprop-2-en-1-yl]-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, MAGNESIUM ION | Authors: | Brandt, G.S, McLeish, M.J, Kenyon, G.L, Petsko, G.A, Ringe, D, Jordan, F. | Deposit date: | 2008-11-05 | Release date: | 2008-12-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Detection and time course of formation of major thiamin diphosphate-bound covalent intermediates derived from a chromophoric substrate analogue on benzoylformate decarboxylase. Biochemistry, 48, 2009
|
|
3FSJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fsj by Molmil](/molmil-images/mine/3fsj) | Crystal structure of benzoylformate decarboxylase in complex with the inhibitor MBP | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzoylformate decarboxylase, CALCIUM ION | Authors: | Brandt, G.S, Kenyon, G.L, McLeish, M.J, Jordan, F, Petsko, G.A, Ringe, D. | Deposit date: | 2009-01-09 | Release date: | 2009-01-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Snapshot of a reaction intermediate: analysis of benzoylformate decarboxylase in complex with a benzoylphosphonate inhibitor. Biochemistry, 48, 2009
|
|
4MQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mq5 by Molmil](/molmil-images/mine/4mq5) | |
4MPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mpp by Molmil](/molmil-images/mine/4mpp) | |
4MPR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mpr by Molmil](/molmil-images/mine/4mpr) | |
4MZX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mzx by Molmil](/molmil-images/mine/4mzx) | Crystal Structure of Benzoylformate Decarboxylase Mutant T377L/A460Y | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxlyase, CALCIUM ION, ... | Authors: | Andrews, F.H, McLeish, M.J. | Deposit date: | 2013-09-30 | Release date: | 2015-04-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.558 Å) | Cite: | Mechanistic and structural insight to an evolved benzoylformate decarboxylase with enhanced
activity towards pyruvate To be Published
|
|
4Q9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q9d by Molmil](/molmil-images/mine/4q9d) | X-ray structure of a putative thiamin diphosphate-dependent enzyme isolated from Mycobacterium smegmatis | Descriptor: | Benzoylformate decarboxylase, FORMIC ACID, MAGNESIUM ION | Authors: | Andrews, F.H, Horton, J.D, Yoon, H.J, Malik, A.M.K, Logsdon, M.G, Shin, D.H, Kneen, M.M, Suh, S.W, McLeish, M.J. | Deposit date: | 2014-04-30 | Release date: | 2015-04-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The kinetic characterization and X-ray structure of a putative benzoylformate decarboxylase from M. smegmatis highlights the difficulties in the functional annotation of ThDP-dependent enzymes. Biochim.Biophys.Acta, 1854, 2015
|
|
4D5G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d5g by Molmil](/molmil-images/mine/4d5g) | Structure of recombinant CDH-H28AN484A | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, CYCLOHEXANE-1,2-DIONE HYDROLASE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M. | Deposit date: | 2014-11-04 | Release date: | 2015-01-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4GM0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gm0 by Molmil](/molmil-images/mine/4gm0) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403N | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-15 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
4GM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gm1 by Molmil](/molmil-images/mine/4gm1) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403S | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-15 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
4D5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d5e by Molmil](/molmil-images/mine/4d5e) | Crystal Structure of recombinant wildtype CDH | Descriptor: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Loschonsky, S, Wacker, T, Waltzer, S, Giovannini, P.P, McLeish, M.J, Andrade, S.L.A, Mueller, M. | Deposit date: | 2014-11-03 | Release date: | 2015-01-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Extended Reaction Scope of Thiamine Diphosphate Dependent Cyclohexane-1,2-Dione Hydrolase: From C-C Bond Cleavage to C-C Bond Ligation. Angew.Chem.Int.Ed.Engl., 53, 2014
|
|
4GM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gm4 by Molmil](/molmil-images/mine/4gm4) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403I | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-15 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
4GG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gg1 by Molmil](/molmil-images/mine/4gg1) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403T | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-04 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.069 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
4GPE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gpe by Molmil](/molmil-images/mine/4gpe) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403M | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-20 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
4GP9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4gp9 by Molmil](/molmil-images/mine/4gp9) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403F | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2012-08-20 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
3IAE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iae by Molmil](/molmil-images/mine/3iae) | Structure of benzaldehyde lyase A28S mutant with benzoylphosphonate | Descriptor: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium, Benzaldehyde lyase, CALCIUM ION | Authors: | Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J. | Deposit date: | 2009-07-13 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition. J.Am.Chem.Soc., 132, 2010
|
|
3IAF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3iaf by Molmil](/molmil-images/mine/3iaf) | Structure of benzaldehyde lyase A28S mutant with monomethyl benzoylphosphonate | Descriptor: | Benzaldehyde lyase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Brandt, G.S, Petsko, G.A, Ringe, D, McLeish, M.J. | Deposit date: | 2009-07-13 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Active-site engineering of benzaldehyde lyase shows that a point mutation can confer both new reactivity and susceptibility to mechanism-based inhibition. J.Am.Chem.Soc., 132, 2010
|
|
4K9M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9m by Molmil](/molmil-images/mine/4k9m) | |
4K9P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9p by Molmil](/molmil-images/mine/4k9p) | |
4K9L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9l by Molmil](/molmil-images/mine/4k9l) | |
4JD5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jd5 by Molmil](/molmil-images/mine/4jd5) | Crystal Structure of Benzoylformate Decarboxylase Mutant L403E | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | Authors: | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | Deposit date: | 2013-02-23 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate. Biochemistry, 52, 2013
|
|
4K9K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9k by Molmil](/molmil-images/mine/4k9k) | |
4K9N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9n by Molmil](/molmil-images/mine/4k9n) | |
4K9Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k9q by Molmil](/molmil-images/mine/4k9q) | |