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9F48
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BU of 9f48 by Molmil
KS + AT di-domain of polyketide synthase 13 in Mycobacterium tuberculosis
Descriptor: Polyketide synthase Pks13
Authors:Johnston, H.E, Futterer, K.
Deposit date:2024-04-26
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:CryoEM structure of the di-domain core of Mycobacterium tuberculosis polyketide synthase 13, essential for mycobacterial mycolic acid synthesis
To be published
8R1V
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BU of 8r1v by Molmil
Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-11-02
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8R0I
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BU of 8r0i by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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
8TPW
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BU of 8tpw by Molmil
Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 3 in complex with antibody fragment 1B2: cis-oriented 1B2 and ACP
Descriptor: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-08-05
Release date:2024-08-07
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structural basis for intermodular communication in assembly-line polyketide biosynthesis.
Nat.Chem.Biol., 2024
8TPX
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BU of 8tpx by Molmil
Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 3 in complex with antibody fragment 1B2: trans-oriented 1B2 and ACP
Descriptor: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-08-05
Release date:2024-08-07
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for intermodular communication in assembly-line polyketide biosynthesis.
Nat.Chem.Biol., 2024
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
8TKO
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BU of 8tko by Molmil
KS-AT core of 6-deoxyerythronolide B synthase (DEBS) Module 3 crosslinked with its translocation ACP partner of Module 2
Descriptor: EryAI, EryAII
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-07-25
Release date:2024-07-31
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for intermodular communication in assembly-line polyketide biosynthesis.
Nat.Chem.Biol., 2024
8TJP
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BU of 8tjp by Molmil
KS-AT core of 6-deoxyerythronolide B synthase (DEBS) Module 3 crosslinked with its elongation ACP partner
Descriptor: EryAII
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-07-23
Release date:2024-07-24
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural basis for intermodular communication in assembly-line polyketide biosynthesis.
Nat.Chem.Biol., 2024
8TJN
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BU of 8tjn by Molmil
Crosslinked 6-deoxyerythronolide B synthase (DEBS) Module 1 in complex with antibody fragment 1B2: Crosslinked State 1
Descriptor: Antibody Fragment 1B2, Heavy Chain, Light Chain, ...
Authors:Cogan, D.P, Soohoo, A.M, Chen, M, Brodsky, K.L, Liu, Y, Khosla, C.
Deposit date:2023-07-23
Release date:2024-07-24
Last modified:2024-09-04
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Structural basis for intermodular communication in assembly-line polyketide biosynthesis.
Nat.Chem.Biol., 2024
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
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
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
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
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
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
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
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
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
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
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
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
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
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

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PDB entries from 2024-09-18

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