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4W4T
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BU of 4w4t by Molmil
The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway
Descriptor: ACETATE ION, MxaA
Authors:Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J.
Deposit date:2014-08-15
Release date:2015-08-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
5KBZ
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BU of 5kbz by Molmil
Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic
Descriptor: (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase
Authors:Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A.
Deposit date:2016-06-03
Release date:2017-05-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.803 Å)
Cite:Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4U7W
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BU of 4u7w by Molmil
The crystal structure of the terminal R domain from the myxalamid PKS-NRPS biosynthetic pathway
Descriptor: ACETATE ION, MxaA, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Tsai, S.C, Keasling, J.D, Luo, R, Barajas, J.F, Phelan, R.M, Schaub, A.J, Kliewer, J.
Deposit date:2014-07-31
Release date:2015-08-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.899 Å)
Cite:Comprehensive Structural and Biochemical Analysis of the Terminal Myxalamid Reductase Domain for the Engineered Production of Primary Alcohols.
Chem.Biol., 22, 2015
4WV3
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BU of 4wv3 by Molmil
Crystal structure of the anthranilate CoA ligase AuaEII in complex with anthranoyl-AMP
Descriptor: 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine, Anthranilate-CoA ligase
Authors:Tsai, S.C, Muller, R, Jackson, D.R, Tu, S.S, Nguyen, M, Barajas, J.F, Pistorious, D, Krug, D.
Deposit date:2014-11-04
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.599 Å)
Cite:Structural Insights into Anthranilate Priming during Type II Polyketide Biosynthesis.
Acs Chem.Biol., 11, 2016
4XRT
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BU of 4xrt by Molmil
Crystal structure of the di-domain ARO/CYC StfQ from the steffimycin biosynthetic pathway
Descriptor: FORMIC ACID, StfQ Aromatase/Cyclase
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
4XRW
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BU of 4xrw by Molmil
Crystal structure of the di-domain ARO/CYC BexL from the BE-7585A biosynthetic pathway
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BexL
Authors:Tsai, S.C, Caldara-Festin, G.M, Jackson, D.R, Aguilar, S, Patel, A, Nguyen, M, Sasaki, E, Valentic, T.R, Barajas, J.F, Vo, M, Khanna, A, Liu, H.-W.
Deposit date:2015-01-21
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional analysis of two di-domain aromatase/cyclases from type II polyketide synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
6CGO
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BU of 6cgo by Molmil
Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase
Descriptor: Condensation domain protein, PHOSPHATE ION
Authors:Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E.
Deposit date:2018-02-20
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for chain release from the enacyloxin polyketide synthase.
Nat.Chem., 11, 2019
5KOF
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BU of 5kof by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate
Authors:Milligan, J.C, Jackson, D.R, Barajas, J.F, Tsai, S.C.
Deposit date:2016-06-30
Release date:2018-01-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for interactions between an acyl carrier protein and a ketosynthase.
Nat.Chem.Biol., 15, 2019
5TII
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BU of 5tii by Molmil
Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis
Descriptor: 3-oxoacyl-ACP reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Valentic, T.R, Tsai, S.C, Brady, S.F.
Deposit date:2016-10-03
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis.
ACS Chem. Biol., 11, 2016
5THQ
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BU of 5thq by Molmil
Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis
Descriptor: 3-oxoacyl-ACP reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Valentic, T.R, Tsai, S.C, Brady, S.F.
Deposit date:2016-09-30
Release date:2016-11-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis.
ACS Chem. Biol., 11, 2016
5TT4
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BU of 5tt4 by Molmil
Determining the Molecular Basis For Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Patel, A, Tsai, S.C, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2016-11-01
Release date:2016-11-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Determining the Molecular Basis For Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
5INI
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BU of 5ini by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
Descriptor: HEXANOYL-COENZYME A, Putative carboxyl transferase
Authors:Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L.
Deposit date:2016-03-07
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
5ING
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BU of 5ing by Molmil
A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender unit
Descriptor: Putative carboxyl transferase
Authors:Valentic, T.R, Ray, L, Miyazawa, T, Song, L, Withall, D.M, Milligan, J.C, Takahashi, S, Osada, H, Tsai, S.C, Challis, G.L.
Deposit date:2016-03-07
Release date:2016-12-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
5INF
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BU of 5inf by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
Descriptor: Carboxyl transferase, HEXANOYL-COENZYME A
Authors:Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Osada, H, Tsai, S.C, Challis, G.L.
Deposit date:2016-03-07
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
2A7S
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BU of 2a7s by Molmil
Crystal Structure of the Acyl-CoA Carboxylase, AccD5, from Mycobacterium tuberculosis
Descriptor: Probable propionyl-CoA carboxylase beta chain 5
Authors:Lin, T, Melgar, M, Purdon, J, Tseng, T, Tsai, S.C.
Deposit date:2005-07-06
Release date:2006-02-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-based inhibitor design of AccD5, an essential acyl-CoA carboxylase carboxyltransferase domain of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4XSA
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BU of 4xsa by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XS7
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BU of 4xs7 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XS9
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BU of 4xs9 by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
4XSB
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BU of 4xsb by Molmil
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Descriptor: Daunorubicin-doxorubicin polyketide synthase
Authors:Jackson, D.R, Valentic, T.R, Tsai, S.C, Patel, A, Mohammed, L, Vasilakis, K, Wattana-amorn, P, Long, P.F, Crump, M.P, Crosby, J.
Deposit date:2015-01-22
Release date:2016-01-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
To Be Published
5WGC
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BU of 5wgc by Molmil
propionyl-DpsC in complex with oxetane-bearing probe
Descriptor: (3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}oxetan-3-yl)acetic acid, Daunorubicin-doxorubicin polyketide synthase
Authors:Milligan, J.C, Ellis, B.D, White, A.R, Vanderwal, C.D, Tsai, S.C.
Deposit date:2017-07-13
Release date:2018-04-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Oxetane-Based Polyketide Surrogate To Probe Substrate Binding in a Polyketide Synthase.
J. Am. Chem. Soc., 140, 2018
3TFZ
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BU of 3tfz by Molmil
Crystal structure of Zhui aromatase/cyclase from Streptomcyes sp. R1128
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Cyclase, POTASSIUM ION
Authors:Ames, B.D, Lee, M.Y, Moody, C, Zhang, W, Tang, Y, Wong, S.K, Tsai, S.C.
Deposit date:2011-08-16
Release date:2011-09-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural and Biochemical Characterization of ZhuI Aromatase/Cyclase from the R1128 Polyketide Pathway.
Biochemistry, 50, 2011
1XR3
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BU of 1xr3 by Molmil
Actinorhodin Polyketide Ketoreductase with NADP and the Inhibitor Isoniazid bound
Descriptor: 4-(DIAZENYLCARBONYL)PYRIDINE, ACTINORHODIN POLYKETIDE KETOREDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Korman, T.P, Hill, J.A, Vu, T.N, Tsai, S.C.
Deposit date:2004-10-13
Release date:2005-09-27
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity.
Biochemistry, 43, 2004
3HRR
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BU of 3hrr by Molmil
The Product Template Domain from PksA with Harris Compound Bound
Descriptor: 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one, Aflatoxin biosynthesis polyketide synthase
Authors:Korman, T.P, Tsai, S.C.
Deposit date:2009-06-09
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization.
Nature, 461, 2009
3HRQ
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BU of 3hrq by Molmil
The Product Template Domain from PksA with palmitate bound
Descriptor: Aflatoxin biosynthesis polyketide synthase, PALMITIC ACID
Authors:Korman, T.P, Tsai, S.C.
Deposit date:2009-06-09
Release date:2009-10-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for biosynthetic programming of fungal aromatic polyketide cyclization.
Nature, 461, 2009
2REZ
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BU of 2rez by Molmil
Tetracenomycin ARO/CYC NaI Structure
Descriptor: ACETATE ION, IODIDE ION, Multifunctional cyclase-dehydratase-3-O-methyl transferase tcmN
Authors:Ames, B.D, Tsai, S.C.
Deposit date:2007-09-27
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure and functional analysis of tetracenomycin ARO/CYC: implications for cyclization specificity of aromatic polyketides.
Proc.Natl.Acad.Sci.Usa, 105, 2008

 

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