4BD1
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, TOHO-1 BETA-LACTAMASE | Authors: | Tomanicek, S.J, Weiss, K.L, Standaert, R.F, Ostermann, A, Schrader, T.E, Ng, J.D, Coates, L. | Deposit date: | 2012-10-04 | Release date: | 2013-01-16 | Last modified: | 2017-03-22 | Method: | NEUTRON DIFFRACTION (2.002 Å) | Cite: | Neutron and X-Ray Crystal Structures of a Perdeuterated Enzyme Inhibitor Complex Reveal the Catalytic Proton Network of the Toho-1 Beta-Lactamase for the Acylation Reaction. J.Biol.Chem., 288, 2013
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7KLB
| X-ray Counterpart to Neutron Structure of Reduced Human MnSOD | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-29 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7KKU
| X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, PHOSPHATE ION, Superoxide dismutase [Mn], ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7KKS
| Neutron structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7KKW
| Neutron structure of Reduced Human MnSOD | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2024-04-10 | Method: | NEUTRON DIFFRACTION (2.3 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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8A7Z
| NMR structure of holo-acp | Descriptor: | 4'-PHOSPHOPANTETHEINE, Hybrid polyketide synthase-non ribosomal peptide synthetase | Authors: | Collin, S, Weissman, K.J, Chagot, B, Gruez, A. | Deposit date: | 2022-06-21 | Release date: | 2023-03-22 | Last modified: | 2023-03-29 | Method: | SOLUTION NMR | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun, 14, 2023
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8ODW
| 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
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8AIG
| NMR structure of holo-acp | Descriptor: | 4'-PHOSPHOPANTETHEINE, Hybrid non ribosomal peptide synthetase-polyketide synthase | Authors: | Collin, S, Weissman, K.J, Chagot, B, Gruez, A. | Deposit date: | 2022-07-26 | Release date: | 2023-03-22 | Last modified: | 2023-03-29 | Method: | SOLUTION NMR | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun, 14, 2023
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8ALL
| NMR structure of holo-acp | Descriptor: | 4'-PHOSPHOPANTETHEINE, Hybrid non ribosomal peptide synthetase-polyketide synthase | Authors: | Collin, S, Weissman, K.J, Chagot, B, Gruez, A. | Deposit date: | 2022-08-01 | Release date: | 2023-03-22 | Last modified: | 2023-03-29 | Method: | SOLUTION NMR | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun, 14, 2023
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8RAJ
| NMR structure of PKS docking domains | Descriptor: | Beta-ketoacyl synthase, Trimethylamine monooxygenase | Authors: | Scat, S, Weissman, K.J, Chagot, B. | Deposit date: | 2023-12-01 | Release date: | 2024-06-05 | Last modified: | 2024-07-17 | Method: | SOLUTION NMR | Cite: | Insights into docking in megasynthases from the investigation of the toblerol trans -AT polyketide synthase: many alpha-helical means to an end. Rsc Chem Biol, 5, 2024
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6F7L
| Crystal structure of LkcE R326Q mutant in complex with its substrate | Descriptor: | ACETATE ION, Amine oxidase LkcE, CALCIUM ION, ... | Authors: | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2017-12-11 | Release date: | 2018-09-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
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6F32
| Crystal structure of a dual function amine oxidase/cyclase in complex with substrate analogues | Descriptor: | (2~{R},3~{R})-2,3-bis(oxidanyl)-~{N},~{N}'-dipropyl-butanediamide, ACETATE ION, Amine oxidase LkcE, ... | Authors: | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2017-11-27 | Release date: | 2018-09-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
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4CA3
| SOLUTION STRUCTURE OF STREPTOMYCES VIRGINIAE VIRA ACP5B | Descriptor: | HYBRID POLYKETIDE SYNTHASE-NON RIBOSOMAL PEPTIDE SYNTHETASE | Authors: | Davison, J, Dorival, J, Rabeharindranto, M.H, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2013-10-05 | Release date: | 2014-06-04 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Insights Into the Function of Trans-Acyl Transferase Polyketide Synthases from the Saxs Structure of a Complete Module. Chem.Sci., 2014
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6FJH
| Crystal structure of the seleniated LkcE from Streptomyces rochei | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, LkcE, OXYGEN MOLECULE, ... | Authors: | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2018-01-22 | Release date: | 2018-09-19 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
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6F7V
| Crystal structure of LkcE E64Q mutant in complex with LC-KA05 | Descriptor: | CALCIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dorival, J, Risser, F, Jacob, C, Collin, S, Drager, G, Kirschning, A, Paris, C, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2017-12-12 | Release date: | 2018-09-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.03 Å) | Cite: | Insights into a dual function amide oxidase/macrocyclase from lankacidin biosynthesis. Nat Commun, 9, 2018
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1PZR
| Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS2 and DEBS3: the B domain | Descriptor: | Erythronolide synthase | Authors: | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | Deposit date: | 2003-07-14 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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1PZQ
| Structure of fused docking domains from the erythromycin polyketide synthase (DEBS), a model for the interaction between DEBS 2 and DEBS 3: The A domain | Descriptor: | Erythronolide synthase | Authors: | Broadhurst, R.W, Nietlispach, D, Wheatcroft, M.P, Leadlay, P.F, Weissman, K.J. | Deposit date: | 2003-07-14 | Release date: | 2004-02-24 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The structure of docking domains in modular polyketide synthases. Chem.Biol., 10, 2003
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2MF4
| 1H, 13C, 15N chemical shift assignments of Streptomyces virginiae VirA acp5a | Descriptor: | Hybrid polyketide synthase-non ribosomal peptide synthetase | Authors: | Davison, J, Dorival, J, Rabeharindranto, M.H, Mazon, H, Chagot, B, Gruez, A, Weissman, K.J. | Deposit date: | 2013-10-05 | Release date: | 2014-06-04 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | NMR assignements of ACP5a To be Published
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2JUG
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2N5D
| NMR structure of PKS domains | Descriptor: | fusion protein of two PKS domains | Authors: | Dorival, J, Annaval, T, Risser, F, Collin, S, Roblin, P, Jacob, C, Gruez, A, Chagot, B, Weissman, K.J. | Deposit date: | 2015-07-14 | Release date: | 2016-03-23 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Characterization of Intersubunit Communication in the Virginiamycin trans-Acyl Transferase Polyketide Synthase. J.Am.Chem.Soc., 138, 2016
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