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8CG4
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BU of 8cg4 by Molmil
The organise full-length structure of the fungal non-reducing polyketide synthase (NR-PKS) PksA
Descriptor: Norsolorinic acid synthase
Authors:Munoz-Hernandez, H, Maier, T.
Deposit date:2023-02-03
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:CryoEM structure of the Aspergilus sp. fungal non-reducing polyketide synthase (NR-PKS) PksA at 2.6 Angstroms resolution
To Be Published
8CG6
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BU of 8cg6 by Molmil
The ACP crosslinked to the SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT)
Descriptor: Acyl carrier protein (ACP) of Non-reducing polyketide synthase CTB1, Non-reducing polyketide synthase CTB1, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-[2-(propanoylamino)ethyl]-beta-alaninamide
Authors:Munoz-Hernandez, H, Tittes, Y.U, Maier, T.
Deposit date:2023-02-03
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of ACP crosslinked to SAT of the cercosporin fungal non-reducing polyketide synthase (NR-PKS) CTB1 (ACP:SAT-KS-MAT) at 3.4 Angstroms resolution
To Be Published
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
8EE1
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BU of 8ee1 by Molmil
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment AA5
Descriptor: 6-deoxyerythronolide B synthase, AA5 antibody heavy chain, AA5 antibody light chain
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 (2.7 Å)
Cite:Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023
8PD1
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BU of 8pd1 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
Deposit date:2023-06-11
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8OII
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BU of 8oii by Molmil
Cryo-EM KSB domain of RhiE from Burkholderia rhizoxinica
Descriptor: RhiE protein,Polyketide synthase domain protein RhiE
Authors:Capper, M.J, Koehnke, J.
Deposit date:2023-03-22
Release date:2024-04-03
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Structural Analysis of a Chain-Branching Polyketide Synthase Module
To Be Published
8PRW
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BU of 8prw by Molmil
Cryo-EM structure of the yeast fatty acid synthase at 1.9 angstrom resolution
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COENZYME A, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-12
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSA
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BU of 8psa by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASam sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PRV
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BU of 8prv by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample)
Descriptor: COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-12
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS1
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BU of 8ps1 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASamn sample)
Descriptor: COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSP
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BU of 8psp by Molmil
Asymmetric unit of the yeast fatty acid synthase in rotated state with ACP at the acetyl transferase domain (FASx sample)
Descriptor: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSK
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BU of 8psk by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASx sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSM
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BU of 8psm by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the malonyl/palmitoyl transferase domain (FASx sample)
Descriptor: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSG
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BU of 8psg by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the acetyl transferase domain (FASx sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSJ
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BU of 8psj by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi rotated state with ACP at the acetyl transferase domain (FASx sample)
Descriptor: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS8
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BU of 8ps8 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the enoyl reductase domain (FASam sample)
Descriptor: Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-26
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS2
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BU of 8ps2 by Molmil
Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PS9
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BU of 8ps9 by Molmil
Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosynthase domain (FASam sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSF
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BU of 8psf by Molmil
Asymmetric unit of the yeast fatty acid synthase in non-rotated state with ACP at the acetyl transferase domain (FASx sample)
Descriptor: 4'-PHOSPHOPANTETHEINE, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ...
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PSL
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BU of 8psl by Molmil
Asymmetric unit of the yeast fatty acid synthase in the semi non-rotated state with ACP at the ketosynthase domain (FASx sample)
Descriptor: FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta
Authors:Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A.
Deposit date:2023-07-13
Release date:2023-11-22
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
8PFZ
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BU of 8pfz by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with(S)-2-(1H-pyrazole-3-carboxamido)butanoic acid
Descriptor: (2~{S})-2-(1~{H}-pyrazol-3-ylcarbonylamino)butanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, ...
Authors:Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O.
Deposit date:2023-06-17
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8QM1
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BU of 8qm1 by Molmil
wild type Pa.FabF in complex cerulenin
Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-09-21
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8QER
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BU of 8qer by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 4-(1H-pyrazole-3-carbonylamino)pentanoic acid
Descriptor: (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid, 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhins'ky, V, Brenk, R, Georgiou, C.
Deposit date:2023-09-01
Release date:2024-01-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion
Chemrxiv, 2023
8PJ0
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BU of 8pj0 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-06-22
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8SMS
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BU of 8sms by Molmil
Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin crosslinker-crypto Acyl Carrier Protein, AcpP
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide
Authors:Jiang, Z, Chen, A, Chen, J, Sekhon, A, Louie, G.V, Noel, J.P, La Clair, J.J, Burkart, M.D.
Deposit date:2023-04-26
Release date:2023-09-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Masked cerulenin enables a dual-site selective protein crosslink.
Chem Sci, 14, 2023

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數據於2024-05-22公開中

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