3D7K
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![BU of 3d7k by Molmil](/molmil-images/mine/3d7k) | Crystal structure of benzaldehyde lyase 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, Benzaldehyde lyase, CALCIUM ION | Authors: | Brandt, G.S. | Deposit date: | 2008-05-21 | Release date: | 2008-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Probing the active center of benzaldehyde lyase with substitutions and the pseudosubstrate analogue benzoylphosphonic acid methyl ester Biochemistry, 47, 2008
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6DSS
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![BU of 6dss by Molmil](/molmil-images/mine/6dss) | Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase | Descriptor: | Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Brandt, G.S, Novak, W.R.P. | Deposit date: | 2018-06-14 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.599 Å) | Cite: | Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6DSQ
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![BU of 6dsq by Molmil](/molmil-images/mine/6dsq) | |
6DSR
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![BU of 6dsr by Molmil](/molmil-images/mine/6dsr) | Re-refinement of P. falciparum orotidine 5'-monophosphate decarboxylase | Descriptor: | Orotidine 5'-monophosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Brandt, G.S, Novak, W.R.P. | Deposit date: | 2018-06-14 | Release date: | 2018-10-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Re-refinement of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase provides a clearer picture of an important malarial drug target. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6PX2
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![BU of 6px2 by Molmil](/molmil-images/mine/6px2) | Acropora millepora GAPDH | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION | Authors: | Brandt, G.S, Fields, P.A. | Deposit date: | 2019-07-24 | Release date: | 2019-12-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Thermal stability and structure of glyceraldehyde-3-phosphate dehydrogenase from the coral Acropora millepora. Rsc Adv, 11, 2021
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3FSJ
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![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
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3F6E
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![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
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3F6B
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![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
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3IAF
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![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
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3IAE
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![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
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5T1J
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![BU of 5t1j by Molmil](/molmil-images/mine/5t1j) | Crystal Structure of the Tbox DNA binding domain of the transcription factor T-bet | Descriptor: | DNA, T-box transcription factor TBX21 | Authors: | Liu, C.F, Brandt, G.S, Hoang, Q, Hwang, E.S, Naumova, N, Lazarevic, V, Dekker, J, Glimcher, L.H, Ringe, D, Petsko, G.A. | Deposit date: | 2016-08-19 | Release date: | 2016-10-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.947 Å) | Cite: | Crystal structure of the DNA binding domain of the transcription factor T-bet suggests simultaneous recognition of distant genome sites. Proc.Natl.Acad.Sci.USA, 113, 2016
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4U01
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![BU of 4u01 by Molmil](/molmil-images/mine/4u01) | HCV NS3/4A serine protease in complex with 6570 | Descriptor: | (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, CHLORIDE ION, NS4A protein, ... | Authors: | Parsy, C.C, Alexandre, F.-R, Brandt, G, Caillet, C, Chaves, D, Derock, M, Gloux, D, Griffon, Y, Lallos, L.B, Leroy, F, Liuzzi, M, Loi, A.-G, Mayes, B, Moulat, L, Moussa, A, Chiara, M, Roques, V, Rosinovsky, E, Seifer, M, Stewart, A, Wang, J, Standring, D, Surleraux, D. | Deposit date: | 2014-07-11 | Release date: | 2015-07-29 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320. Bioorg.Med.Chem.Lett., 25, 2015
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