5WGV
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![BU of 5wgv by Molmil](/molmil-images/mine/5wgv) | Crystal Structure of MalA' C112S/C128S, premalbrancheamide complex | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGU
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![BU of 5wgu by Molmil](/molmil-images/mine/5wgu) | Crystal Structure of MalA' E494D, premalbrancheamide complex | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5W7M
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![BU of 5w7m by Molmil](/molmil-images/mine/5w7m) | Crystal structure of RoqN | Descriptor: | Glandicoline B O-methyltransferase roqN, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | Deposit date: | 2017-06-20 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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6D5K
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![BU of 6d5k by Molmil](/molmil-images/mine/6d5k) | Structure of Human ATP:Cobalamin Adenosyltransferase bound to ATP, and Adenosylcobalamin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-DEOXYADENOSINE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Dodge, G.J, Campanello, G, Smith, J.L, Banerjee, R. | Deposit date: | 2018-04-19 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Sacrificial Cobalt-Carbon Bond Homolysis in Coenzyme B12as a Cofactor Conservation Strategy. J. Am. Chem. Soc., 140, 2018
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5WGX
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![BU of 5wgx by Molmil](/molmil-images/mine/5wgx) | Crystal Structure of MalA' H253A, malbrancheamide B complex | Descriptor: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.973 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGS
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![BU of 5wgs by Molmil](/molmil-images/mine/5wgs) | Crystal Structure of MalA' H253F, premalbrancheamide complex | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WM5
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![BU of 5wm5 by Molmil](/molmil-images/mine/5wm5) | Crystal Structure of CahJ in Complex with 5-Methylsalicyl Adenylate | Descriptor: | 9-(5-O-{(S)-hydroxy[(2-hydroxy-5-methylbenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ... | Authors: | Sikkema, A.P, Smith, J.L. | Deposit date: | 2017-07-28 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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5WPR
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![BU of 5wpr by Molmil](/molmil-images/mine/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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5WGR
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![BU of 5wgr by Molmil](/molmil-images/mine/5wgr) | Crystal Structure of Wild-type MalA', premalbrancheamide complex | Descriptor: | (5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.362 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WGZ
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![BU of 5wgz by Molmil](/molmil-images/mine/5wgz) | Crystal Structure of Wild-type MalA', isomalbrancheamide B complex | Descriptor: | (5aS,12aS,13aS)-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.041 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WM3
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![BU of 5wm3 by Molmil](/molmil-images/mine/5wm3) | Crystal Structure of CahJ in Complex with Salicyl Adenylate | Descriptor: | 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ... | Authors: | Sikkema, A.P, Smith, J.L. | Deposit date: | 2017-07-28 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.679 Å) | Cite: | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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5WPP
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![BU of 5wpp by Molmil](/molmil-images/mine/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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5WGY
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![BU of 5wgy by Molmil](/molmil-images/mine/5wgy) | Crystal Structure of MalA' C112S/C128S, malbrancheamide B complex | Descriptor: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5W7R
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![BU of 5w7r by Molmil](/molmil-images/mine/5w7r) | Crystal structure of OxaC in complex with SAH and oxaline | Descriptor: | (3E,7aR,12aS)-3-[(1H-imidazol-4-yl)methylidene]-6,12-dimethoxy-7a-(2-methylbut-3-en-2-yl)-7a,12-dihydro-1H,5H-imidazo[1 ',2':1,2]pyrido[2,3-b]indole-2,5(3H)-dione, OxaC, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Newmister, S.A, Romminger, S, Schmidt, J.J, Williams, R.M, Smith, J.L, Berlinck, R.G.S, Sherman, D.H. | Deposit date: | 2017-06-20 | Release date: | 2018-07-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.497 Å) | Cite: | Unveiling sequential late-stage methyltransferase reactions in the meleagrin/oxaline biosynthetic pathway. Org. Biomol. Chem., 16, 2018
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5WM6
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![BU of 5wm6 by Molmil](/molmil-images/mine/5wm6) | Crystal Structure of CahJ in Complex with Benzoyl Adenylate | Descriptor: | 5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine, ACETATE ION, MAGNESIUM ION, ... | Authors: | Sikkema, A.P, Smith, J.L. | Deposit date: | 2017-07-28 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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5WPU
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![BU of 5wpu by Molmil](/molmil-images/mine/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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5WGW
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![BU of 5wgw by Molmil](/molmil-images/mine/5wgw) | Crystal Structure of Wild-type MalA', malbrancheamide B complex | Descriptor: | (5aS,12aS,13aS)-9-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Fraley, A.E, Smith, J.L. | Deposit date: | 2017-07-14 | Release date: | 2017-08-16 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.092 Å) | Cite: | Function and Structure of MalA/MalA', Iterative Halogenases for Late-Stage C-H Functionalization of Indole Alkaloids. J. Am. Chem. Soc., 139, 2017
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5WM7
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![BU of 5wm7 by Molmil](/molmil-images/mine/5wm7) | Crystal Structure of CahJ in Complex with AMP | Descriptor: | ACETATE ION, ADENOSINE MONOPHOSPHATE, GLYCEROL, ... | Authors: | Sikkema, A.P, Smith, J.L. | Deposit date: | 2017-07-28 | Release date: | 2018-05-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ. Chembiochem, 19, 2018
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5WPS
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![BU of 5wps by Molmil](/molmil-images/mine/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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8SY2
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![BU of 8sy2 by Molmil](/molmil-images/mine/8sy2) | |
8SY3
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![BU of 8sy3 by Molmil](/molmil-images/mine/8sy3) | |
6UEJ
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![BU of 6uej by Molmil](/molmil-images/mine/6uej) | |
6UEI
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![BU of 6uei by Molmil](/molmil-images/mine/6uei) | Crystal structure of human zinc finger antiviral protein | Descriptor: | ZINC ION, Zinc finger CCCH-type antiviral protein 1 | Authors: | Meagher, J.L, Smith, J.L. | Deposit date: | 2019-09-21 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of the zinc-finger antiviral protein in complex with RNA reveals a mechanism for selective targeting of CG-rich viral sequences. Proc.Natl.Acad.Sci.USA, 116, 2019
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8G7W
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![BU of 8g7w by Molmil](/molmil-images/mine/8g7w) | Type I modPKS reducing region | Descriptor: | GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | Authors: | McCullough, T.M, Smith, J.L. | Deposit date: | 2023-02-17 | Release date: | 2023-06-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure of a modular polyketide synthase reducing region. Structure, 31, 2023
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8G7X
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![BU of 8g7x by Molmil](/molmil-images/mine/8g7x) | Human fatty acid synthase dehydratase domain | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Akey, D.L, Konwerski, J.R, McCullough, T.M, Smith, J.L. | Deposit date: | 2023-02-17 | Release date: | 2023-06-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.815 Å) | Cite: | Structure of a modular polyketide synthase reducing region. Structure, 31, 2023
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