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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
6B39
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BU of 6b39 by Molmil
AprA Methyltransferase 1 - GNAT in complex with SAH
Descriptor: AprA Methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2017-09-21
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:A Mononuclear Iron-Dependent Methyltransferase Catalyzes Initial Steps in Assembly of the Apratoxin A Polyketide Starter Unit.
ACS Chem. Biol., 12, 2017
5UHU
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BU of 5uhu by Molmil
Solution conformation of cytochrome P450 MycG with mycinamicin IV bound
Descriptor: MYCINAMICIN IV, Mycinamicin IV hydroxylase/epoxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Pochapsky, T.C, Tietz, D.R.
Deposit date:2017-01-12
Release date:2017-08-23
Last modified:2020-01-01
Method:SOLUTION NMR
Cite:Solution Conformations and Dynamics of Substrate-Bound Cytochrome P450 MycG.
Biochemistry, 56, 2017
3GWZ
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BU of 3gwz by Molmil
Structure of the Mitomycin 7-O-methyltransferase MmcR
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, MmcR, ...
Authors:Singh, S, Chang, A, Bingman, C.A, Phillips Jr, G.N, Thorson, J.S.
Deposit date:2009-04-01
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
3GXO
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BU of 3gxo by Molmil
Structure of the Mitomycin 7-O-methyltransferase MmcR with bound Mitomycin A
Descriptor: CALCIUM ION, MmcR, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Singh, S, Chang, A, Bingman, C.A, Phillips Jr, G.N, Thorson, J.S.
Deposit date:2009-04-02
Release date:2010-04-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of the mitomycin 7-O-methyltransferase.
Proteins, 79, 2011
6O5G
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BU of 6o5g by Molmil
Calmodulin in complex with isomalbrancheamide D
Descriptor: (5aS,12aS,13aS)-9-bromo-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, CALCIUM ION, Calmodulin-1, ...
Authors:Beyett, T.S, Fraley, A.E, Tesmer, J.J.G.
Deposit date:2019-03-02
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Perturbation of the interactions of calmodulin with GRK5 using a natural product chemical probe.
Proc.Natl.Acad.Sci.USA, 116, 2019
3SSO
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BU of 3sso by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 2
Descriptor: MAGNESIUM ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3SSN
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BU of 3ssn by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg, SAH, and Mycinamycin VI
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, MAGNESIUM ION, ...
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.392 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3SSM
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BU of 3ssm by Molmil
MycE Methyltransferase from the Mycinamycin Biosynthetic Pathway in Complex with Mg and SAH, Crystal form 1
Descriptor: MAGNESIUM ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Akey, D.L, Smith, J.L.
Deposit date:2011-07-08
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.247 Å)
Cite:A new structural form in the SAM/metal-dependent o‑methyltransferase family: MycE from the mycinamicin biosynthetic pathway.
J.Mol.Biol., 413, 2011
3TO3
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BU of 3to3 by Molmil
Crystal Structure of Petrobactin Biosynthesis Protein AsbB from Bacillus anthracis str. Sterne
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Kim, Y, Eschenfeldt, W, Stols, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-09-03
Release date:2011-10-05
Last modified:2012-06-06
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Functional and Structural Analysis of the Siderophore Synthetase AsbB through Reconstitution of the Petrobactin Biosynthetic Pathway from Bacillus anthracis.
J.Biol.Chem., 287, 2012
3U1T
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BU of 3u1t by Molmil
Haloalkane Dehalogenase, DmmA, of marine microbial origin
Descriptor: CHLORIDE ION, DmmA Haloalkane Dehalogenase, MALONATE ION
Authors:Gehret, J.J, Smith, J.L.
Deposit date:2011-09-30
Release date:2011-12-28
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and activity of DmmA, a marine haloalkane dehalogenase.
Protein Sci., 21, 2012
3V7I
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BU of 3v7i by Molmil
Germicidin synthase (Gcs) from Streptomyces coelicolor, a type III polyketide synthase
Descriptor: Putative polyketide synthase
Authors:Akey, D.L, Smith, J.L, Geders, T.W.
Deposit date:2011-12-21
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Biochemical and Structural Characterization of Germicidin Synthase: Analysis of a Type III Polyketide Synthase That Employs Acyl-ACP as a Starter Unit Donor.
J.Am.Chem.Soc., 134, 2012
3KG6
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BU of 3kg6 by Molmil
Dehydratase domain from CurF module of Curacin polyketide synthase
Descriptor: CALCIUM ION, CurF
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG8
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BU of 3kg8 by Molmil
Dehydratase domain from CurJ module of Curacin polyketide synthase
Descriptor: CurJ
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG9
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BU of 3kg9 by Molmil
Dehydratase domain from CurK module of Curacin polyketide synthase
Descriptor: CurK
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
3KG7
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BU of 3kg7 by Molmil
Dehydratase domain from CurH module of Curacin polyketide synthase
Descriptor: CurH
Authors:Akey, D.L, Smith, J.L.
Deposit date:2009-10-28
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Crystal Structures of Dehydratase Domains from the Curacin Polyketide Biosynthetic Pathway.
Structure, 18, 2010
5THZ
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BU of 5thz by Molmil
Crystal structure of CurJ carbon methyltransferase
Descriptor: CITRATE ANION, CurJ, GLYCEROL, ...
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2016-09-30
Release date:2016-10-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Domain Organization and Active Site Architecture of a Polyketide Synthase C-methyltransferase.
ACS Chem. Biol., 11, 2016
5THY
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BU of 5thy by Molmil
Crystal structure of SeMet-Substituted CurJ carbon methyltransferase
Descriptor: CurJ, OXIDIZED GLUTATHIONE DISULFIDE, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Skiba, M.A, Smith, J.L.
Deposit date:2016-09-30
Release date:2016-10-19
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Domain Organization and Active Site Architecture of a Polyketide Synthase C-methyltransferase.
ACS Chem. Biol., 11, 2016
5TZ7
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BU of 5tz7 by Molmil
Crystal Structure of CurK Dehydratase D1169N Inactive Mutant
Descriptor: CITRATE ANION, CurK
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2016-11-21
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
5TZ6
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BU of 5tz6 by Molmil
Crystal Structure of CurJ Dehydratase H978F Inactive Mutant In Complex with Compound 21
Descriptor: (2E,5R)-5-hydroxy-2-methylhept-2-enoic acid, CurJ
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2016-11-21
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
5TZ5
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BU of 5tz5 by Molmil
Crystal Structure of CurK Dehydratase H996F Inactive Mutant
Descriptor: CurK
Authors:Dodge, G.J, Smith, J.L.
Deposit date:2016-11-21
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Vinylogous Dehydration by a Polyketide Dehydratase Domain in Curacin Biosynthesis.
J. Am. Chem. Soc., 138, 2016
5WGT
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BU of 5wgt by Molmil
Crystal Structure of MalA' H253A, 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 (2.093 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
5WM4
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BU of 5wm4 by Molmil
Crystal Structure of CahJ in Complex with 6-Methylsalicyl Adenylate
Descriptor: 9-(5-O-{(S)-hydroxy[(2-hydroxy-6-methylbenzene-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 (1.781 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
5WM2
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BU of 5wm2 by Molmil
Crystal Structure of CahJ in Complex with Salicylic Acid and AMP
Descriptor: 2-HYDROXYBENZOIC ACID, ACETATE ION, ADENOSINE MONOPHOSPHATE, ...
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 (1.548 Å)
Cite:A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018

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