6XQL
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![BU of 6xql by Molmil](/molmil-images/mine/6xql) | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with cellohexaose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site | Descriptor: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Liberato, M.V, Squina, F. | Deposit date: | 2020-07-09 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds. J.Biol.Chem., 296, 2021
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5XV4
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![BU of 5xv4 by Molmil](/molmil-images/mine/5xv4) | Crystal structure of ATG101-ATG13HORMA | Descriptor: | Autophagy-related protein 101, Autophagy-related protein 13 | Authors: | Kim, B.-W, Song, H.K. | Deposit date: | 2017-06-26 | Release date: | 2018-07-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The C-terminal region of ATG101 bridges ULK1 and PtdIns3K complex in autophagy initiation. Autophagy, 14, 2018
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6XQF
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![BU of 6xqf by Molmil](/molmil-images/mine/6xqf) | Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from family GH16, co-crystallized with 1,3-beta-D-cellotriosyl-glucose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site | Descriptor: | CALCIUM ION, GH16 family protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | Authors: | Liberato, M.V, Squina, F. | Deposit date: | 2020-07-09 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Insights into the dual cleavage activity of the GH16 laminarinase enzyme class on beta-1,3 and beta-1,4 glycosidic bonds. J.Biol.Chem., 296, 2021
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7AD8
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![BU of 7ad8 by Molmil](/molmil-images/mine/7ad8) | Core TFIIH-XPA-DNA complex with modelled p62 subunit | Descriptor: | DNA (49-MER), DNA repair protein complementing XP-A cells, General transcription and DNA repair factor IIH helicase subunit XPB, ... | Authors: | Koelmel, W, Kuper, J, Kisker, C. | Deposit date: | 2020-09-14 | Release date: | 2021-07-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The TFIIH subunits p44/p62 act as a damage sensor during nucleotide excision repair. Nucleic Acids Res., 48, 2020
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6RX4
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![BU of 6rx4 by Molmil](/molmil-images/mine/6rx4) | THE STRUCTURE OF BD OXIDASE FROM ESCHERICHIA COLI | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Cytochrome bd-I ubiquinol oxidase subunit 1, ... | Authors: | Rasmussen, T, Boettcher, B, Thesseling, A, Friedrich, T. | Deposit date: | 2019-06-07 | Release date: | 2019-11-20 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Homologous bd oxidases share the same architecture but differ in mechanism. Nat Commun, 10, 2019
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6XUJ
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![BU of 6xuj by Molmil](/molmil-images/mine/6xuj) | HumRadA1 in complex with 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine in P21212 | Descriptor: | 5-Ethyl-N-(1H-indol-5-ylmethyl)-1,3,4-thiadiazol-2-amine, DNA repair and recombination protein RadA, PHOSPHATE ION | Authors: | Marsh, M.E, Scott, D.E, Hyvonen, M. | Deposit date: | 2020-01-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Optimising crystallographic systems for structure-guided drug discovery To be published
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6XB9
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![BU of 6xb9 by Molmil](/molmil-images/mine/6xb9) | Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid | Descriptor: | 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ... | Authors: | Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S. | Deposit date: | 2020-06-05 | Release date: | 2021-03-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center. J.Biol.Chem., 296, 2021
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6XJ0
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![BU of 6xj0 by Molmil](/molmil-images/mine/6xj0) | Crystal structure of multi-copper oxidase from Pediococcus pentosaceus | Descriptor: | CHLORIDE ION, COPPER (II) ION, CU-O-CU LINKAGE, ... | Authors: | Pardo, I, Soares, A.S, Collins, R, Partowmah, S.H, Coler, E.A. | Deposit date: | 2020-06-22 | Release date: | 2021-03-10 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural analysis and biochemical properties of laccase enzymes from two Pediococcus species. Microb Biotechnol, 14, 2021
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6XRE
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![BU of 6xre by Molmil](/molmil-images/mine/6xre) | Structure of the p53/RNA polymerase II assembly | Descriptor: | Cellular tumor antigen p53, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11-a, ... | Authors: | Liou, S.-H, Singh, S, Singer, R.H, Coleman, R.A, Liu, W. | Deposit date: | 2020-07-12 | Release date: | 2021-03-24 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structure of the p53/RNA polymerase II assembly. Commun Biol, 4, 2021
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6XM8
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![BU of 6xm8 by Molmil](/molmil-images/mine/6xm8) | Crystal structure of lignostilbene bound to Co-LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | COBALT (II) ION, DIMETHYL SULFOXIDE, Dioxygenase, ... | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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6XM9
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![BU of 6xm9 by Molmil](/molmil-images/mine/6xm9) | Crystal structure of vanillin bound to Co-LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | 4-hydroxy-3-methoxybenzaldehyde, ACETATE ION, COBALT (II) ION, ... | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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6XMA
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![BU of 6xma by Molmil](/molmil-images/mine/6xma) | Crystal structure of iron-bound LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | Dioxygenase, FE (III) ION, SULFATE ION | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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6XM7
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![BU of 6xm7 by Molmil](/molmil-images/mine/6xm7) | Crystal structure of DCA-S bound to Co-LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | (2E)-3-{4-hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-5-methoxyphenyl}prop-2-enoic acid, COBALT (II) ION, DIMETHYL SULFOXIDE, ... | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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6XM6
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![BU of 6xm6 by Molmil](/molmil-images/mine/6xm6) | Crystal structure of cobalt-bound LSD4 from Sphingobium sp. strain SYK-6 | Descriptor: | COBALT (II) ION, Dioxygenase | Authors: | Kuatsjah, E, Chan, A.C, Katahira, R, Beckham, G.T, Murphy, M.E, Eltis, L.D. | Deposit date: | 2020-06-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural and functional analysis of lignostilbene dioxygenases from Sphingobium sp. SYK-6. J.Biol.Chem., 296, 2021
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6X5Y
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![BU of 6x5y by Molmil](/molmil-images/mine/6x5y) | IDO1 in complex with compound 4 | Descriptor: | 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1 | Authors: | Lesburg, C.A, Lammens, A. | Deposit date: | 2020-05-27 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors To Be Published
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6XKD
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![BU of 6xkd by Molmil](/molmil-images/mine/6xkd) | Structure of ligand-bound mouse cGAMP hydrolase ENPP1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fernandez, D, Li, L. | Deposit date: | 2020-06-26 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure-Aided Development of Small-Molecule Inhibitors of ENPP1, the Extracellular Phosphodiesterase of the Immunotransmitter cGAMP. Cell Chem Biol, 27, 2020
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6XOQ
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![BU of 6xoq by Molmil](/molmil-images/mine/6xoq) | DCN1 covalently bound to inhibitor 4 | Descriptor: | (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide, Lysozyme, DCN1-like protein 1 chimera | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOM
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![BU of 6xom by Molmil](/molmil-images/mine/6xom) | DCN1 bound to 8 | Descriptor: | (2R)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-2-methyl-4-(morpholin-4-yl)butanamide, 1,2-ETHANEDIOL, Lysozyme, ... | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOL
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![BU of 6xol by Molmil](/molmil-images/mine/6xol) | DCN1 bound to DI-1548 | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XOP
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![BU of 6xop by Molmil](/molmil-images/mine/6xop) | DCN1 bound to inhibitor 10 | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-[(1S)-1-cyclohexyl-2-{[(2S)-3-(1H-imidazol-1-yl)-2-methylpropanoyl]amino}ethyl]-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XON
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![BU of 6xon by Molmil](/molmil-images/mine/6xon) | DCN1 bound to inhibitor 9 | Descriptor: | (2S)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(dimethylamino)-2-methylbutanamide, Lysozyme DCN1-like protein 1 chimera | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XAI
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![BU of 6xai by Molmil](/molmil-images/mine/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: | 2024-04-03 | 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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6XOO
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![BU of 6xoo by Molmil](/molmil-images/mine/6xoo) | DCN1 bound to DI-1859 | Descriptor: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | Authors: | Stuckey, J.A. | Deposit date: | 2020-07-07 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity. Nat Commun, 12, 2021
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6XAK
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![BU of 6xak by Molmil](/molmil-images/mine/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: | 2023-11-15 | 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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6XA2
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![BU of 6xa2 by Molmil](/molmil-images/mine/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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