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2BVJ
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BU of 2bvj by Molmil
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
2C6H
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BU of 2c6h by Molmil
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
2C7X
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BU of 2c7x by Molmil
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
2CD8
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BU of 2cd8 by Molmil
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:Yermalitskaya, L.I, Kim, Y, Sherman, D.H, Waterman, M.R, Podust, L.M.
Deposit date:2006-01-20
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 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
3DX5
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BU of 3dx5 by Molmil
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
3F5H
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BU of 3f5h by Molmil
Crystal structure of fused docking domains from PikAIII and PikAIV of the pikromycin polyketide synthase
Descriptor: SODIUM ION, Type I polyketide synthase PikAIII, Type I polyketide synthase PikAIV fusion protein
Authors:Buchholz, T.J, Geders, T.W, Bartley, F.E, Reynolds, K.A, Smith, J.L, Sherman, D.H.
Deposit date:2008-11-03
Release date:2009-01-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for binding specificity between subclasses of modular polyketide synthase docking domains.
Acs Chem.Biol., 4, 2009
6PVF
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BU of 6pvf by Molmil
Crystal structure of PhqK in complex with malbrancheamide B
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, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2020-02-19
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVH
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BU of 6pvh by Molmil
Crystal structure of PhqK in complex with paraherquamide K
Descriptor: (7aS,12S,12aR,13aS)-3,3,12,14,14-pentamethyl-3,7,11,12,13,13a,14,15-octahydro-8H,10H-7a,12a-(epiminomethano)indolizino[6,7-h]pyrano[3,2-a]carbazol-16-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVG
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BU of 6pvg by Molmil
Crystal structure of ligand free PhqK
Descriptor: FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.709 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVI
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BU of 6pvi by Molmil
Crystal structure of PhqK in complex with paraherquamide L
Descriptor: (8aS,13S,13aR,14aS)-4,4,13,15,15-pentamethyl-12,13,14,14a,15,16-hexahydro-4H,8H,9H,11H-8a,13a-(epiminomethano)[1,4]dioxepino[2,3-a]indolizino[6,7-h]carbazol-17-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
6PVJ
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BU of 6pvj by Molmil
Crystal structure of PhqK in complex with malbrancheamide C
Descriptor: (5aS,12aS,13aS)-9-bromo-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one, FAD monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Fraley, A.E, Smith, J.L, Sherman, D.H.
Deposit date:2019-07-20
Release date:2020-01-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular Basis for Spirocycle Formation in the Paraherquamide Biosynthetic Pathway.
J.Am.Chem.Soc., 142, 2020
4AW3
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BU of 4aw3 by Molmil
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
7UF8
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BU of 7uf8 by Molmil
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
6U9I
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BU of 6u9i by Molmil
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
5FOI
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BU of 5foi by Molmil
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
2VZ7
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BU of 2vz7 by Molmil
Crystal structure of the YC-17-bound PikC D50N mutant
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:Li, S, Sherman, D.H, Podust, L.M.
Deposit date:2008-07-30
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 284, 2009
2VZM
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BU of 2vzm by Molmil
Crystal structure of the narbomycin-bound PikC D50N mutant
Descriptor: CYTOCHROME P450 MONOOXYGENASE, NARBOMYCIN, PROTOPORPHYRIN IX CONTAINING FE
Authors:Li, S, Sherman, D.H, Podust, L.M.
Deposit date:2008-08-01
Release date:2008-08-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Analysis of Transient and Catalytic Desosamine Binding Pockets in Cytochrome P450 Pikc from Streptomyces Venezuelae.
J.Biol.Chem., 284, 2009
2H7X
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BU of 2h7x by Molmil
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
6XA2
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BU of 6xa2 by Molmil
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:2021-12-22
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
6XAI
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BU of 6xai by Molmil
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:2021-12-22
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
6XAK
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BU of 6xak by Molmil
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
2HFK
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BU of 2hfk by Molmil
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
6XAM
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BU of 6xam by Molmil
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:2023-11-15
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
6XAL
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BU of 6xal by Molmil
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:2023-11-15
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
6XA3
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BU of 6xa3 by Molmil
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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