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8ODW
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BU of 8odw by Molmil
Crystal structure of LbmA Ox-ACP didomain in complex with NADP and ethyl glycinate from the lobatamide PKS (Gynuella sunshinyii)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Francois, R.M.M, Fraley, A.E, Piel, J, Weissman, K.J, Gruez, A.
Deposit date:2023-03-09
Release date:2023-05-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:Modular Oxime Formation by a trans-AT Polyketide Synthase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8A82
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BU of 8a82 by Molmil
Fe(II)/aKG-dependent halogenase OocPQ
Descriptor: Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ...
Authors:Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J.
Deposit date:2022-06-21
Release date:2023-03-08
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation.
Structure, 31, 2023
8BRP
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BU of 8brp by Molmil
Peptide Arginase OspR from the cyanobacterium Kamptonema sp.
Descriptor: ACETATE ION, GLYCEROL, MAGNESIUM ION, ...
Authors:Mordhorst, S, Badmann, T, Boesch, N.M, Morinaka, B.I, Rach, H, Piel, J, Groll, M, Vagstadt, A.L.
Deposit date:2022-11-23
Release date:2023-03-01
Last modified:2023-03-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and Biochemical Insights into Post-Translational Arginine-to-Ornithine Peptide Modifications by an Atypical Arginase.
Acs Chem.Biol., 18, 2023
7R0X
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BU of 7r0x by Molmil
Structure of the branching thioesterase from oocydin biosynthesis
Descriptor: Polyketide synthase
Authors:Fraley, A.E, Piel, J.
Deposit date:2022-02-02
Release date:2022-08-10
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Structure of a Promiscuous Thioesterase Domain Responsible for Branching Acylation in Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 61, 2022
6SBG
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BU of 6sbg by Molmil
Structure of type II terpene cyclase MstE_R337A from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate)
Descriptor: GLYCEROL, MstE, geranylgeranyl dihydroxybenzoate
Authors:Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J.
Deposit date:2019-07-19
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
6SBB
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BU of 6sbb by Molmil
Structure of type II terpene cyclase MstE from Scytonema (apo)
Descriptor: 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J.
Deposit date:2019-07-19
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
6SBF
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BU of 6sbf by Molmil
Structure of type II terpene cyclase MstE_Y157F from Scytonema (apo)
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, MstE
Authors:Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J.
Deposit date:2019-07-19
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
6SBE
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BU of 6sbe by Molmil
Structure of type II terpene cyclase MstE_D109N from Scytonema in complex with geranylgeranyl dihydroxybenzoate (substrate)
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, MstE, ...
Authors:Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J.
Deposit date:2019-07-19
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
6SBD
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BU of 6sbd by Molmil
Structure of type II terpene cyclase MstE_D109A from Scytonema in complex with merosterolic acid A (product)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, (4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid, GLYCEROL, ...
Authors:Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J.
Deposit date:2019-07-19
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
6SBC
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BU of 6sbc by Molmil
Structure of type II terpene cyclase MstE from Scytonema in complex with farnesyl dihydroxybenzoate
Descriptor: CHLORIDE ION, MstE, SODIUM ION, ...
Authors:Moosmann, P, Ecker, F, Leopold-Messer, S, Cahn, J.K.B, Groll, M, Piel, J.
Deposit date:2019-07-19
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A monodomain class II terpene cyclase assembles complex isoprenoid scaffolds.
Nat.Chem., 12, 2020
6B2V
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BU of 6b2v by Molmil
Pyran synthase domain from module nine of the sorangicin pathway
Descriptor: SorB
Authors:Wagner, D.T, Keatinge-Clay, A.T.
Deposit date:2017-09-20
Release date:2018-04-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and Functional Studies of a Pyran Synthase Domain from a trans-Acyltransferase Assembly Line.
ACS Chem. Biol., 13, 2018
7OUD
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BU of 7oud by Molmil
Crystal structure of a ternary complex of the flavoprotein monooxygenase GrhO5 with FAD and collinone
Descriptor: Collinone, FAD-dependent monooxygenase GrhO5, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Saleem-Batcha, R, Toplak, M, Teufel, R.
Deposit date:2021-06-11
Release date:2021-11-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OUJ
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BU of 7ouj by Molmil
Crystal structure of the flavoprotein monooxygenase RubL from rubromycin biosynthesis
Descriptor: (2S)-hexane-1,2,6-triol, 4-HYDROXYPROLINE, CHLORIDE ION, ...
Authors:Saleem-Batcha, R, Toplak, M, Teufel, R.
Deposit date:2021-06-11
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
7OUC
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BU of 7ouc by Molmil
Crystal structure of the flavoprotein monooxygenase GrhO5 from griseorhodin A biosynthesis
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent monooxygenase GrhO5
Authors:Saleem-Batcha, R, Toplak, M, Teufel, R.
Deposit date:2021-06-11
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Catalytic Control of Spiroketal Formation in Rubromycin Polyketide Biosynthesis.
Angew.Chem.Int.Ed.Engl., 60, 2021
4NA2
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BU of 4na2 by Molmil
Crystal Structure of the second ketosynthase from the bacillaene polyketide synthase bound to its natural intermediate
Descriptor: Polyketide synthase PksJ
Authors:Gay, D.C, Gay, G.R, Keatinge-Clay, A.T.
Deposit date:2013-10-21
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A close look at a ketosynthase from a trans-acyltransferase modular polyketide synthase.
Structure, 22, 2014
4NA1
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BU of 4na1 by Molmil
Crystal Structure of the second ketosynthase from the bacillaene polyketide synthase
Descriptor: Polyketide synthase PksJ, SULFATE ION
Authors:Gay, D.C, Gay, G.R, Keatinge-Clay, A.T.
Deposit date:2013-10-21
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A close look at a ketosynthase from a trans-acyltransferase modular polyketide synthase.
Structure, 22, 2014
4NA3
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BU of 4na3 by Molmil
Crystal Structure of the second ketosynthase from the bacillaene polyketide synthase bound to a hexanoyl substrate mimic
Descriptor: Polyketide synthase PksJ, SULFATE ION
Authors:Gay, D.C, Gay, G.R, Keatinge-Clay, A.T.
Deposit date:2013-10-21
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:A close look at a ketosynthase from a trans-acyltransferase modular polyketide synthase.
Structure, 22, 2014
7RC2
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BU of 7rc2 by Molmil
Aeronamide N-methyltransferase, AerE
Descriptor: CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC6
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BU of 7rc6 by Molmil
Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34
Descriptor: Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC5
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BU of 7rc5 by Molmil
Aeronamide N-methyltransferase, AerE (N231A)
Descriptor: CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC3
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BU of 7rc3 by Molmil
Aeronamide N-methyltransferase, AerE (Y137F)
Descriptor: ASPARTIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RC4
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BU of 7rc4 by Molmil
Aeronamide N-methyltransferase, AerE (D141A)
Descriptor: CALCIUM ION, HEXAETHYLENE GLYCOL, Methyltransferase family protein, ...
Authors:Cogan, D.P, Reyes, R, Nair, S.K.
Deposit date:2021-07-07
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
6TEK
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BU of 6tek by Molmil
Structure of siderophore interaction domain of IrtAB
Descriptor: Drug ABC transporter ATP-binding protein, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Arnold, F.M, Gonda, I, Hutter, C.A.J, Seeger, M.A, Hurlimann, L.M.
Deposit date:2019-11-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The ABC exporter IrtAB imports and reduces mycobacterial siderophores.
Nature, 580, 2020
6TEJ
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BU of 6tej by Molmil
Structure of apo IrtAB devoid SID in complex with sybody Syb_NL5
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, Drug ABC transporter ATP-binding protein, NICKEL (II) ION, ...
Authors:Gonda, I, Arnold, F.M, Hutter, C.A.J, Weber, M.S, Seeger, M.A, Hurlimann, L.M.
Deposit date:2019-11-12
Release date:2020-04-01
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The ABC exporter IrtAB imports and reduces mycobacterial siderophores.
Nature, 580, 2020

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