7OC5
| Alpha-humulene synthase AsR6 from Sarocladium schorii | Descriptor: | Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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7OC6
| Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | Descriptor: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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7OC4
| Alpha-humulene synthase AsR6 from Sarocladium schorii in complex with thiolodiphosphate and a cyclized reaction product. | Descriptor: | (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4-8-cycloundecatriene, (R,R)-2,3-BUTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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2KR5
| Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase | Descriptor: | 4'-PHOSPHOPANTETHEINE, Aflatoxin biosynthesis polyketide synthase | Authors: | Wattana-amorn, P, Williams, C, Ploskon, E, Cox, R.J, Simpson, T.J, Crosby, J, Crump, M.P. | Deposit date: | 2009-12-03 | Release date: | 2010-03-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase. Biochemistry, 49, 2010
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6FTN
| mPI3Kd IN COMPLEX WITH AZ2 | Descriptor: | Phosphor inositol 3 kinase, ~{N}-[5-[2-[(1~{S})-1-cyclopropylethyl]-7-methyl-1-oxidanylidene-3~{H}-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide | Authors: | Petersen, J. | Deposit date: | 2018-02-22 | Release date: | 2018-06-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Highly Isoform Selective Orally Bioavailable Phosphoinositide 3-Kinase (PI3K)-gamma Inhibitors. J. Med. Chem., 61, 2018
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8EQA
| Crystal structure of human anti-N1 neuraminidase 2H08 Fab | Descriptor: | 2H08 Fab heavy chain, 2H08 Fab light chain, ZINC ION | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2022-10-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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8EQC
| Crystal structure of human anti-N1 neuraminidase 3H03 Fab | Descriptor: | 3H03 Fab heavy chain, 3H03 Fab light chain, PHOSPHATE ION | Authors: | Zhu, X, Wilson, I.A. | Deposit date: | 2022-10-07 | Release date: | 2023-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 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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6V4O
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8AHQ
| VirD/holo-ACP5b of Streptomyces virginiae complex | Descriptor: | 1,2-ETHANEDIOL, 4'-PHOSPHOPANTETHEINE, CHLORIDE ION, ... | Authors: | Collin, S, Gruez, A. | Deposit date: | 2022-07-22 | Release date: | 2023-03-15 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun, 14, 2023
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8AHZ
| Native VirD of Streptomyces virginiae | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Enoyl-CoA hydratase, ... | Authors: | Collin, S, Gruez, A. | Deposit date: | 2022-07-25 | Release date: | 2023-03-15 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Decrypting the programming of beta-methylation in virginiamycin M biosynthesis. Nat Commun, 14, 2023
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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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6V4N
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7PAV
| MALT1 in complex with compound 1 | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Kack, H, Oster, L. | Deposit date: | 2021-07-30 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors. Eur.J.Med.Chem., 227, 2021
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7PAW
| MALT1 in complex with compound 1 | Descriptor: | Mucosa-associated lymphoid tissue lymphoma translocation protein 1, ~{N}1-(3-chloranyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-~{N}4-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine | Authors: | Kack, H, Oster, L. | Deposit date: | 2021-07-30 | Release date: | 2021-11-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors. Eur.J.Med.Chem., 227, 2021
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8E6K
| 2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ... | Authors: | Turner, H.L, Ozorowski, G, Ward, A.B. | Deposit date: | 2022-08-22 | Release date: | 2023-08-09 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo. Immunity, 56, 2023
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8E6J
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2KG9
| NMR Solution Structures of butyryl-ACP (a non-polar, non pathway intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | Authors: | Crump, M.P, Evans, S.E, Williams, C. | Deposit date: | 2009-03-07 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KGE
| NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Crump, M.P, Evans, S.E, Williams, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KG8
| NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, Actinorhodin polyketide synthase acyl carrier protein | Authors: | Crump, M.P, Evans, S.E, Williams, C, Eliza, P. | Deposit date: | 2009-03-06 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KG6
| Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER | Authors: | Crump, M.P, Evans, S.E, Eliza, P, Christopher, W. | Deposit date: | 2009-03-06 | Release date: | 2009-04-14 | Last modified: | 2024-10-09 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2L22
| Mupirocin didomain ACP | Descriptor: | Mupirocin didomain Acyl Carrier Protein | Authors: | Dong, X, Williams, C, Crump, M.P, Wattana-amorn, P. | Deposit date: | 2010-08-10 | Release date: | 2012-02-15 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | A conserved motif flags acyl carrier proteins for beta-branching in polyketide synthesis. Nat.Chem.Biol., 9, 2013
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2KGD
| NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor | Descriptor: | Actinorhodin polyketide synthase acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide | Authors: | Crump, M.P, Evans, S.E, Williams, C. | Deposit date: | 2009-03-08 | Release date: | 2009-04-14 | Last modified: | 2021-10-20 | Method: | SOLUTION NMR | Cite: | Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2). J.Mol.Biol., 389, 2009
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2KGA
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