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5KP7
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BU of 5kp7 by Molmil
Crystal Structure of the Curacin Biosynthetic Pathway HMG Synthase in Complex with Holo Donor-ACP
Descriptor: 4'-PHOSPHOPANTETHEINE, CurB, CurD, ...
Authors:Maloney, F.P, Smith, J.L.
Deposit date:2016-07-02
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Anatomy of the beta-branching enzyme of polyketide biosynthesis and its interaction with an acyl-ACP substrate.
Proc.Natl.Acad.Sci.USA, 113, 2016
5KP6
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BU of 5kp6 by Molmil
Crystal Structure of the Curacin Biosynthetic Pathway HMG Synthase in Complex with Apo Donor-ACP
Descriptor: CurB, CurD
Authors:Maloney, F.P, Smith, J.L.
Deposit date:2016-07-02
Release date:2016-08-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Anatomy of the beta-branching enzyme of polyketide biosynthesis and its interaction with an acyl-ACP substrate.
Proc.Natl.Acad.Sci.USA, 113, 2016
7UCH
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BU of 7uch by Molmil
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Di-methyl-malonate
Descriptor: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Skiba, M.A, Lao, Y, Smith, J.L.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
8G7X
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BU of 8g7x by Molmil
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
8G7W
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BU of 8g7w by Molmil
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
5IOS
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BU of 5ios by Molmil
Flavin-dependent thymidylate synthase R90A variant in complex with FAD and deoxyuridine monophosphate
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOT
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BU of 5iot by Molmil
Flavin-dependent thymidylate synthase R174A variant in complex with FAD and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOQ
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BU of 5ioq by Molmil
Flavin-dependent thymidylate synthase in complex with FAD and deoxyuridine
Descriptor: 2'-DEOXYURIDINE, FLAVIN-ADENINE DINUCLEOTIDE, TRIETHYLENE GLYCOL, ...
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
5IOR
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BU of 5ior by Molmil
Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate
Descriptor: 2'-deoxy-5'-O-sulfouridine, FLAVIN-ADENINE DINUCLEOTIDE, RIBOFLAVIN, ...
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
6UEJ
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BU of 6uej by Molmil
Crystal structure of human zinc finger antiviral protein bound to RNA
Descriptor: RNA (5'-R(P*UP*CP*G)-3'), SPERMINE, ZINC ION, ...
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 (2.21 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
6UEI
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BU of 6uei by Molmil
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
1VF5
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BU of 1vf5 by Molmil
Crystal Structure of Cytochrome b6f Complex from M.laminosus
Descriptor: (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ...
Authors:Kurisu, G, Zhang, H, Smith, J.L, Cramer, W.A.
Deposit date:2004-04-08
Release date:2004-04-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of the Cytochrome B6F Complex of Oxygenic Photosynthesis: Tuning the Cavity
Science, 302, 2003
6MBG
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BU of 6mbg by Molmil
GphF Dehydratase P1711L variant for improved crystallization
Descriptor: 1,4-BUTANEDIOL, GphF, MAGNESIUM ION
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.852 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018
6MBF
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BU of 6mbf by Molmil
GphF Dehydratase 1
Descriptor: GphF Dehydratase 1, MAGNESIUM ION
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.543 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018
6MBH
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BU of 6mbh by Molmil
GphF DH1 P1711L, L1744P variant: An isomerase-inactive variant of GphF DH1
Descriptor: GphF Dehydratase 1
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2018-08-29
Release date:2018-09-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for Olefin Rearrangement in the Gephyronic Acid Polyketide Synthase.
ACS Chem. Biol., 13, 2018
6MFD
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BU of 6mfd by Molmil
GphF GNAT-like decarboxylase in complex with isobutyryl-CoA
Descriptor: ACETATE ION, GLYCEROL, GphF, ...
Authors:Skiba, M.A, Tran, C.L, Smith, J.L.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
6MFC
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BU of 6mfc by Molmil
GphF GNAT-like decarboxylase
Descriptor: GLYCEROL, GphF, PENTAETHYLENE GLYCOL
Authors:Skiba, M.A, Tran, C.L, Smith, J.L.
Deposit date:2018-09-10
Release date:2019-09-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.589 Å)
Cite:Repurposing the GNAT Fold in the Initiation of Polyketide Biosynthesis.
Structure, 28, 2020
7UCL
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BU of 7ucl by Molmil
SxtA Methyltransferase variant F458H in complex with Mn2+ and malonate
Descriptor: MALONATE ION, MANGANESE (II) ION, Polyketide synthase-related protein
Authors:Lao, Y, Smith, J.L.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
7UCI
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BU of 7uci by Molmil
SxtA Methyltransferase and decarboxylase didomain in complex with Mn2+ and SAH
Descriptor: GLYCEROL, MANGANESE (II) ION, Polyketide synthase-related protein, ...
Authors:Lao, Y, Skiba, M.A, Smith, J.L.
Deposit date:2022-03-16
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Control of Methylation Extent in Polyketide Synthase Metal-Dependent C -Methyltransferases.
Acs Chem.Biol., 17, 2022
6AL7
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BU of 6al7 by Molmil
Crystal structure HpiC1 F138S
Descriptor: 12-epi-hapalindole C/U synthase, 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:2024-03-13
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6AL6
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BU of 6al6 by Molmil
Crystal structure HpiC1 in P42 space group
Descriptor: 12-epi-hapalindole C/U synthase, 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 (2.088 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6AL8
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BU of 6al8 by Molmil
Crystal structure HpiC1 Y101F/F138S
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:2018-03-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis.
Nat. Chem. Biol., 14, 2018
6BEV
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BU of 6bev by Molmil
Human Single Domain Sulfurtranferase TSTD1
Descriptor: Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1
Authors:Motl, N, Akey, D.L, Smith, J.L, Banerjee, R.
Deposit date:2017-10-25
Release date:2018-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.043 Å)
Cite:Thiosulfate sulfurtransferase-like domain-containing 1 protein interacts with thioredoxin.
J. Biol. Chem., 293, 2018
6B3A
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BU of 6b3a by Molmil
AprA Methyltransferase 1 - GNAT didomain in complex with Mn2+ and SAM
Descriptor: AprA Methyltransferase 1, GLYCEROL, MANGANESE (II) ION, ...
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2017-09-21
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
6B3B
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BU of 6b3b by Molmil
AprA Methyltransferase 1 - GNAT in complex with Mn2+ , SAM, and Malonate
Descriptor: AprA Methyltransferase 1, GLYCEROL, MALONATE ION, ...
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2017-09-21
Release date:2017-11-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017

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