2BVJ
| Ligand-free structure of cytochrome P450 PikC (CYP107L1) | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, BETA-MERCAPTOETHANOL, CYTOCHROME P450 MONOOXYGENASE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-06-28 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2C6H
| Crystal structure of YC-17-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | 4-{[4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY}-12-ETHYL-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, CYTOCHROME P450 MONOOXYGENASE, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-09 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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2C7X
| Crystal structure of narbomycin-bound cytochrome P450 PikC (CYP107L1) | Descriptor: | CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sherman, D.H, Li, S, Yermalitskaya, L.V, Kim, Y, Smith, J.A, Waterman, M.R, Podust, L.M. | Deposit date: | 2005-11-29 | Release date: | 2006-07-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Structural Basis for Substrate Anchoring, Active Site Selectivity, and Product Formation by P450 Pikc from Streptomyces Venezuelae. J.Biol.Chem., 281, 2006
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4P32
| Crystal structure of E. coli LptB in complex with ADP-magnesium | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P33
| Crystal structure of E. coli LptB-E163Q in complex with ATP-sodium | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, Lipopolysaccharide export system ATP-binding protein LptB, ... | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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4P31
| Crystal structure of a selenomethionine derivative of E. coli LptB in complex with ADP-Magensium | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lipopolysaccharide export system ATP-binding protein LptB, MAGNESIUM ION | Authors: | Sherman, D.J, Lazarus, M.B, Murphy, L, Liu, C, Walker, S, Ruiz, N, Kahne, D. | Deposit date: | 2014-03-05 | Release date: | 2014-03-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Decoupling catalytic activity from biological function of the ATPase that powers lipopolysaccharide transport. Proc.Natl.Acad.Sci.USA, 111, 2014
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6U9I
| Crystal structure of BvnE pinacolase from Penicillium brevicompactum | Descriptor: | BvnE, DI(HYDROXYETHYL)ETHER, GLYCEROL | Authors: | Ye, Y, Du, L, Zhang, X, Newmister, S.A, McCauley, M, Alegre-Requena, J.V, Zhang, W, Mu, S, Minami, A, Fraley, A.E, Adrover-Castellano, M.L, Carney, N, Shende, V.V, Oikawa, H, Kato, H, Tsukamoto, S, Paton, R.S, Williams, R.M, Sherman, D.H, Li, S. | Deposit date: | 2019-09-09 | Release date: | 2020-09-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.777 Å) | Cite: | Fungal-derived brevianamide assembly by a stereoselective semipinacolase. Nat Catal, 3, 2020
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4AW3
| Structure of the mixed-function P450 MycG F286V mutant in complex with mycinamicin V in P1 space group | Descriptor: | GLYCEROL, MYCINAMICIN V, P-450-LIKE PROTEIN, ... | Authors: | Li, S, Tietz, D.R, Rutaganira, F.U, Kells, P.M, Anzai, Y, Kato, F, Pochapsky, T.C, Sherman, D.H, Podust, L.M. | Deposit date: | 2012-05-30 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Substrate Recognition by the Multifunctional Cytochrome P450 Mycg in Mycinamicin Hydroxylation and Epoxidation Reactions. J.Biol.Chem., 287, 2012
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7UF8
| Structure of CtdP in complex with penicimutamide E and NADP+ | Descriptor: | 1,2-ETHANEDIOL, CtdP, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Rivera, S, Liu, Z, Newmister, S.A, Gao, X, Sherman, D.H. | Deposit date: | 2022-03-22 | Release date: | 2023-02-22 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | An NmrA-like enzyme-catalysed redox-mediated Diels-Alder cycloaddition with anti-selectivity. Nat.Chem., 15, 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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2HFK
| Pikromycin thioesterase in complex with product 10-deoxymethynolide | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ETHYL-4-HYDROXY-3,5,7,11-TETRAMETHYLOXACYCLODODEC-9-ENE-2,8-DIONE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | Deposit date: | 2006-06-24 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase NAT.CHEM.BIOL., 2, 2006
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2HFJ
| Pikromycin thioesterase with covalent pentaketide affinity label | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Akey, D.L, Kittendorf, J.D, Giraldes, J.W, Fecik, R.A, Sherman, D.H, Smith, J.L. | Deposit date: | 2006-06-24 | Release date: | 2006-09-19 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for Macrolactonization by the Pikromycin Thioesterase NAT.CHEM.BIOL., 2, 2006
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1ODO
| 1.85 A structure of CYP154A1 from Streptomyces coelicolor A3(2) | Descriptor: | 4-PHENYL-1H-IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 154A1 | Authors: | Podust, L.M, Kim, Y, Arase, M, Bach, H, Sherman, D.H, Lamb, D.C, Kelly, S.L, Waterman, M.R. | Deposit date: | 2003-02-19 | Release date: | 2004-01-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Comparison of the 1.85 A Structure of Cyp154A1 from Streptomyces Coelicolor A3(2) with the Closely Related Cyp154C1 and Cyps from Antibiotic Biosynthetic Pathways. Protein Sci., 13, 2004
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2H7X
| Pikromycin Thioesterase adduct with reduced triketide affinity label | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A. | Deposit date: | 2006-06-05 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels NAT.CHEM.BIOL., 2, 2006
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2H7Y
| Pikromycin Thioesterase with covalent affinity label | Descriptor: | DIMETHYL SULFOXIDE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Giraldes, J.W, Akey, D.L, Kittendorf, J.D, Sherman, D.H, Smith, J.S, Fecik, R.A. | Deposit date: | 2006-06-06 | Release date: | 2006-09-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Mechanistic Insights of Polyketide Macrolactonization from Polyketide-based Affinity Labels NAT.CHEM.BIOL., 2, 2006
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5FOI
| Crystal structure of mycinamicin VIII C21 methyl hydroxylase MycCI from Micromonospora griseorubida bound to mycinamicin VIII | Descriptor: | GLYCEROL, MYCINAMICIN VIII C21 METHYL HYDROXYLASE, Mycinamicin VIII, ... | Authors: | Demars, M, Sheng, F, Podust, L.M, Sherman, D.H. | Deposit date: | 2015-11-22 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Biochemical and Structural Characterization of Mycci, a Versatile P450 Biocatalyst from the Mycinamicin Biosynthetic Pathway. Acs Chem.Biol., 11, 2016
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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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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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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: | 2023-11-15 | 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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6NKH
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6NKK
| Structure of PhqE Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and premalbrancheamide | 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, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | Authors: | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-01-07 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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3DX5
| Crystal structure of the probable 3-DHS dehydratase AsbF involved in the petrobactin synthesis from Bacillus anthracis | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,4-DIHYDROXYBENZOIC ACID, CHLORIDE ION, ... | Authors: | Kim, Y, Maltseva, N, Stols, L, Eschenfeldt, W, Pfleger, B.F, Sherman, D.H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-07-23 | Release date: | 2008-09-02 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structural and functional analysis of AsbF: origin of the stealth 3,4-dihydroxybenzoic acid subunit for petrobactin biosynthesis. Proc.Natl.Acad.Sci.USA, 105, 2008
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3LCR
| Thioesterase from Tautomycetin Biosynthhetic Pathway | Descriptor: | DIMETHYL SULFOXIDE, FORMIC ACID, Tautomycetin biosynthetic PKS | Authors: | Akey, D.L, Scaglione, J.B, Smith, J.L, Sherman, D.H. | Deposit date: | 2010-01-11 | Release date: | 2010-08-18 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biochemical and structural characterization of the tautomycetin thioesterase: analysis of a stereoselective polyketide hydrolase. Angew.Chem.Int.Ed.Engl., 49, 2010
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6NKI
| Structure of PhqB Reductase Domain from Penicillium fellutanum | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NRPS | Authors: | Dan, Q, Newmister, S.A, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-01-07 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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6NKM
| Structure of PhqE D166N Reductase/Diels-Alderase from Penicillium fellutanum in complex with NADP+ and substrate | Descriptor: | 3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Short chain dehydrogenase | Authors: | Newmister, S.A, Dan, Q, Smith, J.L, Sherman, D.H. | Deposit date: | 2019-01-07 | Release date: | 2019-10-09 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | Fungal indole alkaloid biogenesis through evolution of a bifunctional reductase/Diels-Alderase. Nat.Chem., 11, 2019
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