6XA2
| Structure of the tirandamycin C-bound P450 monooxygenase TamI | Descriptor: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione, PROTOPORPHYRIN IX CONTAINING FE, TamI | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-03 | Release date: | 2021-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
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6XA3
| Structure of the ligand free P450 monooxygenase TamI | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, TamI | Authors: | Newmister, S.A, Srivastava, K.R, Espinoza, R.V, Haatveit, K.C, Khatri, Y, Martini, R.M, Garcia-Borras, M, Podust, L.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2020-06-03 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Molecular Basis of Iterative C─H Oxidation by TamI, a Multifunctional P450 monooxygenase from the Tirandamycin Biosynthetic Pathway. Acs Catalysis, 10, 2020
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6AL7
| Crystal structure HpiC1 F138S | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AL6
| Crystal structure HpiC1 in P42 space group | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AL8
| Crystal structure HpiC1 Y101F/F138S | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPR
| Crystal structure HpiC1 in C2 space group | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPP
| Crystal structure HpiC1 W73M/K132M | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPU
| Crystal structure HpiC1 Y101S | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPS
| Crystal structure HpiC1 Y101F | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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7N79
| O2-, PLP-dependent desaturase Plu4 holo-enzyme | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Hoffarth, E.R, Ryan, K.S. | Deposit date: | 2021-06-09 | Release date: | 2021-10-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
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6CUK
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6CUN
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7RF9
| O2-, PLP-dependent desaturase Plu4 intermediate-bound enzyme | Descriptor: | (2E)-5-carbamimidamido-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pentanoic acid, 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, ... | Authors: | Hoffarth, E.R, Ryan, K.S. | Deposit date: | 2021-07-13 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.926 Å) | Cite: | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
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7RGB
| O2-, PLP-dependent desaturase Plu4 product-bound enzyme | Descriptor: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid, 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Hoffarth, E.R, Ryan, K.S. | Deposit date: | 2021-07-14 | Release date: | 2021-10-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A shared mechanistic pathway for pyridoxal phosphate-dependent arginine oxidases. Proc.Natl.Acad.Sci.USA, 118, 2021
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7SLH
| Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C3 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | Deposit date: | 2021-10-24 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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7SLI
| Engineered sperm whale myoglobin-based carbene transferase MbBTIC-C2 | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | Authors: | Jenkins, J.L, Vargas, D, Ren, X, Fasan, R. | Deposit date: | 2021-10-24 | Release date: | 2023-05-03 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biocatalytic strategy for the construction of sp 3 -rich polycyclic compounds from directed evolution and computational modelling. Nat.Chem., 16, 2024
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7UOR
| Crystal structure of cytochrome P450 enzyme CYP119 in complex with methyliridium(III) mesoporphyrin. | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome, NICKEL (II) ION, ... | Authors: | Pereira, J.H, Bloomer, B.J, Hartwig, J.F, Adams, P.D. | Deposit date: | 2022-04-13 | Release date: | 2023-02-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Mechanistic and structural characterization of an iridium-containing cytochrome reveals kinetically relevant cofactor dynamics Nat Catal, 6, 2023
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6IX8
| The structure of LepI C52A in complex with SAM and its substrate analogue | Descriptor: | (1R,2R,4aS,8S,8aR)-2,8-dimethyl-5'-phenyl-4a,5,6,7,8,8a-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pyridine]-2',4'(1'H)-dione, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX5
| The structure of LepI complex with SAM and its substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX3
| The structure of LepI complex with SAM | Descriptor: | CHLORIDE ION, O-methyltransferase lepI, S-ADENOSYLMETHIONINE | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX9
| The structure of LepI C52A in complex with SAM and leporin C | Descriptor: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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6IX7
| The structure of LepI C52A in complex with SAH and substrate analogue | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-3-[(2S,6E,8E)-2-methyldeca-6,8-dienoyl]-5-phenylpyridin-2(1H)-one, CHLORIDE ION, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.835 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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5OGX
| Crystal structure of Amycolatopsis cytochrome P450 reductase GcoB. | Descriptor: | BROMIDE ION, Cytochrome P450 reductase, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-07-13 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5OMU
| Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-08-01 | Release date: | 2018-07-04 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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5NCB
| Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol. | Descriptor: | Cytochrome P450, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Johnson, C.W, Neidle, E.L, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2017-03-03 | Release date: | 2018-07-04 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion. Nat Commun, 9, 2018
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