2VBA
 
 | | beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor | | Descriptor: | 2-PHENYLAMINO-4-METHYL-5-ACETYL THIAZOLE, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1 | | Authors: | Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
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2VB9
 | | beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION | | Authors: | Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
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2VB8
 | | beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound inhibitor thiolactomycin | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, CHLORIDE ION, THIOLACTOMYCIN | | Authors: | Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
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6OKC
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases.
Nat Commun, 11, 2020
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2VB7
 | | beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure after soak in PEG solution | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1 | | Authors: | Pappenberger, G, Schulz-Gasch, T, Bailly, J, Hennig, M. | | Deposit date: | 2007-09-06 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-Assisted Discovery of an Aminothiazole Derivative as a Lead Molecule for Inhibition of Bacterial Fatty-Acid Synthesis.
Acta Crystallogr.,Sect.D, 63, 2007
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2BYW
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7SQI
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C14-crypto Acyl Carrier Protein, AcpP | | Descriptor: | Acyl carrier protein, Beta-ketoacyl-ACP synthase I, N-{2-[(2Z)-3-chlorotetradec-2-enamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | | Authors: | Chen, A, Mindrebo, J.T, Davis, T.D, Noel, J.P, Burkart, M.D. | | Deposit date: | 2021-11-05 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
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1EK4
 | | BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH DODECANOIC ACID TO 1.85 RESOLUTION | | Descriptor: | BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I, LAURIC ACID | | Authors: | Olsen, J.G, Kadziola, A, Siggaard-Andersen, M, von Wettstein-Knowles, P, Larsen, S. | | Deposit date: | 2000-03-06 | | Release date: | 2001-04-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of beta-ketoacyl-acyl carrier protein synthase I complexed with fatty acids elucidate its catalytic machinery.
Structure, 9, 2001
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2BZ4
 | | structure of E.coli KAS I H298Q mutant | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION, SULFATE ION | | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A. | | Deposit date: | 2005-08-10 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
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2BUH
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8SMS
 | | 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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2BYZ
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2BYX
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2BZ3
 | | Structure of E.coli KAS I H298E mutant in complex with C12 fatty acid | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION, LAURIC ACID, ... | | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A. | | Deposit date: | 2005-08-10 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
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1H4F
 | | E. COLI BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I K328R | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION | | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Mcguire, K.A, Henriksen, A. | | Deposit date: | 2003-02-26 | | Release date: | 2004-03-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
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2AQB
 | | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherchia coli | | Descriptor: | (5R)-5-[(1E)-BUTA-1,3-DIENYL]-4-HYDROXY-3,5-DIMETHYLTHIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | Deposit date: | 2005-08-17 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
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2BYY
 | | E.coli KAS I H298E Mutation | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION | | Authors: | Olsen, J.G, von Wettstein-Knowles, P, Henriksen, A. | | Deposit date: | 2005-08-09 | | Release date: | 2006-02-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
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7SZ9
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide, ... | | Authors: | Mindrebo, J.T, Chen, A, Noel, J.P, Burkart, M.D. | | Deposit date: | 2021-11-26 | | Release date: | 2022-11-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanism-based cross-linking probes capture the Escherichia coli ketosynthase FabB in conformationally distinct catalytic states.
Acta Crystallogr D Struct Biol, 78, 2022
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1FJ8
 | | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN | | Descriptor: | (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I | | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | | Deposit date: | 2000-08-07 | | Release date: | 2000-08-23 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
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1DD8
 | | CRYSTAL STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I FROM ESCHERICHIA COLI | | Descriptor: | BETA-KETOACYL [ACYL CARRIER PROTEIN] SYNTHASE I | | Authors: | Olsen, J.G, Kadziola, A, von Wettstein-Knowles, P, Siggaard-Andersen, M, Lindquist, Y, Larsen, S. | | Deposit date: | 1999-11-09 | | Release date: | 1999-11-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The X-ray crystal structure of beta-ketoacyl [acyl carrier protein] synthase I.
FEBS Lett., 460, 1999
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2AQ7
 | | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli | | Descriptor: | (5R)-4-HYDROXY-3,5-DIMETHYL-5-[(1E,3E)-2-METHYLPENTA-1,3-DIENYL]THIOPHEN-2(5H)-ONE, 3-oxoacyl-[acyl-carrier-protein] synthase I | | Authors: | Kim, P, Zhang, Y.M, Shenoy, G, Nguyen, Q.A, Boshoff, H.I, Manjunatha, U.H, Goodwin, M.B, Lonsdale, J, Price, A.C, Miller, D.J. | | Deposit date: | 2005-08-17 | | Release date: | 2006-01-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Activity Relationships at the 5-Position of Thiolactomycin: An Intact (5R)-Isoprene Unit Is Required for Activity against the Condensing Enzymes from Mycobacterium tuberculosis and Escherichia coli
J.Med.Chem., 49, 2006
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1FJ4
 | | THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN | | Descriptor: | BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I, THIOLACTOMYCIN | | Authors: | Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. | | Deposit date: | 2000-08-07 | | Release date: | 2000-08-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism.
J.Biol.Chem., 276, 2001
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5KOF
 | | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and Acyl Carrier Protein, AcpP | | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(prop-2-enoylamino)ethylamino]propyl]amino]butyl] dihydrogen phosphate | | Authors: | Milligan, J.C, Jackson, D.R, Barajas, J.F, Tsai, S.C. | | Deposit date: | 2016-06-30 | | Release date: | 2018-01-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular basis for interactions between an acyl carrier protein and a ketosynthase.
Nat.Chem.Biol., 15, 2019
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2BUI
 | | E. COLI BETA-KETOACYL (ACYL CARRIER PROTEIN) SYNTHASE I IN COMPLEX WITH OCTANOIC ACID, 120K | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, AMMONIUM ION, OCTANOIC ACID (CAPRYLIC ACID) | | Authors: | Olsen, J.G, Von Wettstein-Knowles, P, Henriksen, A. | | Deposit date: | 2005-06-13 | | Release date: | 2005-06-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fatty acid synthesis. Role of active site histidines and lysine in Cys-His-His-type beta-ketoacyl-acyl carrier protein synthases.
FEBS J., 273, 2006
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1F91
 | | BETA-KETOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I IN COMPLEX WITH C10 FATTY ACID SUBSTRATE | | Descriptor: | BETA-KETOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE I, DECANOIC ACID, HYDROXIDE ION | | Authors: | Olsen, J.G, Kadziola, A, Wettstein-Knowles, P.V, Siggaard-Andersen, M, Larsen, S. | | Deposit date: | 2000-07-06 | | Release date: | 2001-04-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structures of beta-ketoacyl-acyl carrier protein synthase I complexed with fatty acids elucidate its catalytic machinery.
Structure, 9, 2001
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