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5WA4
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BU of 5wa4 by Molmil
Pyridine synthase, TbtD, from thiomuracin biosynthesis bound to an N-terminal leader peptide fragment
Descriptor: Pyridine synthase TbtD, TbtA 16-mer peptide
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.646 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6W7S
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BU of 6w7s by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ...
Authors:Cogan, D.P, Mathews, I.I, Khosla, C.
Deposit date:2020-03-19
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
6WH9
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BU of 6wh9 by Molmil
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 1D10
Descriptor: 1D10 (Fab heavy chain), 1D10 (Fab light chain), KR1, ...
Authors:Cogan, D.P, Mathews, I.I, Khosla, C.
Deposit date:2020-04-07
Release date:2020-09-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction.
J.Am.Chem.Soc., 142, 2020
5W99
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BU of 5w99 by Molmil
Pyridine synthase, PbtD, from GE2270 biosynthesis bound to TSP
Descriptor: 2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid), PbtD, SULFATE ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-22
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5W98
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BU of 5w98 by Molmil
Pyridine synthase, PbtD, from GE2270 biosynthesis
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PbtD
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-22
Release date:2017-11-22
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5WA3
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BU of 5wa3 by Molmil
Pyridine synthase, TbtD, from thiomuracin biosynthesis
Descriptor: Pyridine synthase TbtD
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2017-06-24
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
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
7M7H
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BU of 7m7h by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1'
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7F
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BU of 7m7f by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7I
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BU of 7m7i by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2 (TE-free)
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7G
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BU of 7m7g by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7E
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BU of 7m7e by Molmil
6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2
Descriptor: 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ...
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
7M7J
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BU of 7m7j by Molmil
6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: "turnstile closed" state (TE-free)
Descriptor: 1B2 (heavy chain), 1B2 (light chain), EryAI
Authors:Cogan, D.P, Zhang, K, Chiu, W, Khosla, C.
Deposit date:2021-03-28
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Mapping the catalytic conformations of an assembly-line polyketide synthase module.
Science, 374, 2021
6C28
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BU of 6c28 by Molmil
Transcriptional repressor, CouR, bound to p-coumaroyl-CoA
Descriptor: Transcriptional regulator, MarR family, p-coumaroyl-CoA
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-07
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis of transcriptional regulation by CouR, a repressor of coumarate catabolism, inRhodopseudomonas palustris.
J. Biol. Chem., 293, 2018
6C9T
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BU of 6c9t by Molmil
Transcriptional repressor, CouR
Descriptor: CouR
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-28
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis of transcriptional regulation by CouR, a repressor of coumarate catabolism, inRhodopseudomonas palustris.
J. Biol. Chem., 293, 2018
6C2S
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BU of 6c2s by Molmil
Transcriptional repressor, CouR, bound to a 23-mer DNA duplex
Descriptor: 23-mer, Transcriptional regulator, MarR family
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-01-08
Release date:2018-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of transcriptional regulation by CouR, a repressor of coumarate catabolism, inRhodopseudomonas palustris.
J. Biol. Chem., 293, 2018
6E6Y
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BU of 6e6y by Molmil
Dieckmann cyclase, NcmC
Descriptor: Dieckmann cyclase, NcmC, SULFATE ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Acs Chem.Biol., 2020
6E6T
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BU of 6e6t by Molmil
Dieckmann cyclase, NcmC, bound to cerulenin
Descriptor: (4S,5R)-4,5-dihydroxy-5-[(3E,6E)-octa-3,6-dien-1-yl]pyrrolidin-2-one, NcmC, SULFATE ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Acs Chem.Biol., 2020
6E6U
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BU of 6e6u by Molmil
Variant C89S of Dieckmann cyclase, NcmC
Descriptor: Dieckmann cyclase, NcmC, SULFATE ION
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-07-25
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Acs Chem.Biol., 2020
6M7Y
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BU of 6m7y by Molmil
Dehydratase, NisB, bound to a non-eliminable substrate analog
Descriptor: Lantibiotic, Nisin biosynthesis protein NisB
Authors:Cogan, D.P, Nair, S.K.
Deposit date:2018-08-21
Release date:2019-08-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Characterization of glutamyl-tRNA-dependent dehydratases using nonreactive substrate mimics.
Proc.Natl.Acad.Sci.USA, 116, 2019
8EE0
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BU of 8ee0 by Molmil
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment 1B2
Descriptor: 1B2 antibody heavy chain, 1B2 antibody light chain, 6-deoxyerythronolide B synthase
Authors:Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C.
Deposit date:2022-09-06
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023

 

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