5LIV
 
 | | Crystal structure of myxobacterial CYP260A1 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 CYP260A1,Cytochrome P450 CYP260A1, DIMETHYL SULFOXIDE, ... | | Authors: | Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2016-07-15 | | Release date: | 2016-11-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural characterization of CYP260A1 from Sorangium cellulosum to investigate the 1 alpha-hydroxylation of a mineralocorticoid.
FEBS Lett., 590, 2016
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5HIW
 | | Sorangium cellulosum So Ce56 cytochrome P450 260B1 | | Descriptor: | Cytochrome P450 CYP260B1, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Salamanca-Pinzon, S.G, Carius, Y, Khatri, Y, Bernhardt, R, Lancaster, C.R.D. | | Deposit date: | 2016-01-12 | | Release date: | 2016-08-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-function analysis for the hydroxylation of Delta 4 C21-steroids by the myxobacterial CYP260B1.
Febs Lett., 590, 2016
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7S3T
 | | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-08 | | Release date: | 2022-10-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 2023
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7S3J
 | | Crystal Structure of AspB P450 in complex with brevianamide F substrates | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ... | | Authors: | Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2021-09-07 | | Release date: | 2022-11-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases.
Angew.Chem.Int.Ed.Engl., 62, 2023
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6XAI
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ... | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAL
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val) | | Descriptor: | (3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione, NzeB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.349 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAK
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | | Descriptor: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.479 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAM
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-homoalanine) | | Descriptor: | (3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione, 1,2-ETHANEDIOL, NzeB, ... | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
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6XAJ
 | | Crystal structure of NzeB | | Descriptor: | 1,2-ETHANEDIOL, NzeB, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | Deposit date: | 2020-06-04 | | Release date: | 2021-06-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 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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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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