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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
1JVN
| CRYSTAL STRUCTURE OF IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE: A TUNNEL THROUGH A (BETA/ALPHA)8 BARREL JOINS TWO ACTIVE SITES | Descriptor: | BIFUNCTIONAL HISTIDINE BIOSYNTHESIS PROTEIN HISHF, NICKEL (II) ION, PYROPHOSPHATE 2-, ... | Authors: | Chaudhuri, B.N, Smith, J.L, Davisson, V.J, Myers, R.S, Lange, S.C, Chittur, S.V. | Deposit date: | 2001-08-30 | Release date: | 2001-10-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of imidazole glycerol phosphate synthase: a tunnel through a (beta/alpha)8 barrel joins two active sites. Structure, 9, 2001
|
|
1NON
| PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus | Descriptor: | PyrR bifunctional protein | Authors: | Switzer, R.L, Chander, P, Smith, J.L, Halbig, K.M, Miller, J.K, Bonner, H.K, Grabner, G.K. | Deposit date: | 2003-01-16 | Release date: | 2004-05-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Nucleotide Complex of PyrR, the pyr Attenuation Protein from Bacillus caldolyticus, Suggests Dual Regulation by Pyrimidine and Purine Nucleotides J.Bacteriol., 187, 2005
|
|
1O57
| CRYSTAL STRUCTURE OF THE PURINE OPERON REPRESSOR OF BACILLUS SUBTILIS | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HEXAETHYLENE GLYCOL, NONAETHYLENE GLYCOL, ... | Authors: | Sinha, S.C, Krahn, J, Shin, B.S, Tomchick, D.R, Zalkin, H, Smith, J.L. | Deposit date: | 2003-04-20 | Release date: | 2003-08-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Purine Repressor of Bacillus Subtilis: A Novel Combination of Domains Adapted for Transcription Regulation J.Bacteriol., 185, 2003
|
|
1P4A
| Crystal Structure of the PurR complexed with cPRPP | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, Pur operon repressor | Authors: | Bera, A.K, Zhu, J, Zalkin, H, Smith, J.L. | Deposit date: | 2003-04-22 | Release date: | 2003-12-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Functional dissection of the Bacillus subtilis pur operator site. J.Bacteriol., 185, 2003
|
|
1RHY
| Crystal structure of Imidazole Glycerol Phosphate Dehydratase | Descriptor: | ACETIC ACID, ETHYL MERCURY ION, GLYCEROL, ... | Authors: | Sinha, S.C, Chaudhuri, B.N, Burgner, J.W, Yakovleva, G, Davisson, V.J, Smith, J.L. | Deposit date: | 2003-11-14 | Release date: | 2004-05-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of imidazole glycerol-phosphate dehydratase: duplication of an unusual fold J.Biol.Chem., 279, 2004
|
|
1S48
| Crystal structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from BVDV | Descriptor: | RNA-dependent RNA polymerase | Authors: | Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G. | Deposit date: | 2004-01-15 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. Proc.Natl.Acad.Sci.Usa, 101, 2004
|
|
1S4F
| Crystal Structure of RNA-dependent RNA polymerase construct 2 from bovine viral diarrhea virus (BVDV) | Descriptor: | RNA-dependent RNA polymerase | Authors: | Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G. | Deposit date: | 2004-01-16 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. Proc.Natl.Acad.Sci.Usa, 101, 2004
|
|
1S49
| Crystal Structure of RNA-dependent RNA polymerase construct 1 (residues 71-679) from bovine viral diarrhea virus complexed with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase | Authors: | Choi, K.H, Groarke, J.M, Young, D.C, Kuhn, R.J, Smith, J.L, Pevear, D.C, Rossmann, M.G. | Deposit date: | 2004-01-15 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structure of the RNA-dependent RNA polymerase from bovine viral diarrhea virus establishes the role of GTP in de novo initiation. Proc.Natl.Acad.Sci.Usa, 101, 2004
|
|
1E2W
| N168F mutant of cytochrome f from Chlamydomonas reinhardtii | Descriptor: | CYTOCHROME F, HEME C | Authors: | Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L. | Deposit date: | 2000-05-30 | Release date: | 2000-08-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function Biochemistry, 39, 2000
|
|
1E2Z
| Q158L mutant of cytochrome f from Chlamydomonas reinhardtii | Descriptor: | CYTOCHROME F, HEME C | Authors: | Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L. | Deposit date: | 2000-05-30 | Release date: | 2000-08-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function Biochemistry, 39, 2000
|
|
1E2V
| N153Q mutant of cytochrome f from Chlamydomonas reinhardtii | Descriptor: | ACETATE ION, CYTOCHROME F, HEME C | Authors: | Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L. | Deposit date: | 2000-05-29 | Release date: | 2000-08-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Interruption of the Internal Water Chain of Cytochrome F Impairs Photosynthetic Function Biochemistry, 39, 2000
|
|
1EWH
| STRUCTURE OF CYTOCHROME F FROM CHLAMYDOMONAS REINHARDTII | Descriptor: | ACETATE ION, CYTOCHROME F, HEME C | Authors: | Sainz, G, Carrell, C.J, Ponamarev, M.V, Soriano, G.M, Cramer, W.A, Smith, J.L. | Deposit date: | 2000-04-25 | Release date: | 2000-08-09 | Last modified: | 2021-03-03 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Interruption of the internal water chain of cytochrome f impairs photosynthetic function. Biochemistry, 39, 2000
|
|
1ECB
| |