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3DY5	Allene oxide synthase 8R-lipoxygenase from Plexaura homomalla Descriptor: Allene oxide synthase-lipoxygenase protein, FE (II) ION, PROTOPORPHYRIN IX CONTAINING FE Authors: Gilbert, N.C, Niebuhr, M, Tsuruta, H, Newcomer, M.E. Deposit date: 2008-07-25 Release date: 2008-10-07 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (3.51 Å) Cite: A covalent linker allows for membrane targeting of an oxylipin biosynthetic complex. Biochemistry, 47, 2008
7K73	Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium fortuitum bound to NAD Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2020-09-22 Release date: 2020-10-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: In Vitro and In Vivo Efficacy of NITD-916 against Mycobacterium fortuitum. Antimicrob.Agents Chemother., 2023
2WDO	Crystal structure of the S. coelicolor AcpS in complex with acetyl- CoA at 1.5 A Descriptor: ACETYL COENZYME *A, COENZYME A, GLYCEROL, ... Authors: Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. Deposit date: 2009-03-25 Release date: 2010-04-21 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity. Biochemistry, 50, 2011
3M6N	Crystal structure of RpfF Descriptor: RpfF protein Authors: Lim, S.C, Cheng, Z, Qamra, R, Song, H. Deposit date: 2010-03-16 Release date: 2010-09-22 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural Basis of the Sensor-Synthase Interaction in Autoinduction of the Quorum Sensing Signal DSF Biosynthesis Structure, 18, 2010
6HXQ	Structure of citryl-CoA synthetase from Hydrogenobacter thermophilus Descriptor: CITRATE ANION, COENZYME A, Citryl-CoA synthetase large subunit, ... Authors: Verstraete, K, Verschueren, K. Deposit date: 2018-10-17 Release date: 2019-04-10 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.91 Å) Cite: Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature, 568, 2019
8A82	Fe(II)/aKG-dependent halogenase OocPQ Descriptor: Cupin_8 domain-containing protein, FE (III) ION, GLYCEROL, ... Authors: Fraley, A.E, Meoded, R.A, Schmalhofer, M, Bergande, C, Groll, M, Piel, J. Deposit date: 2022-06-21 Release date: 2023-03-08 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Heterocomplex structure of a polyketide synthase component involved in modular backbone halogenation. Structure, 31, 2023
7OC1	Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, GLYCEROL, ... Authors: Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. Deposit date: 2021-04-25 Release date: 2021-08-25 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics. Chemmedchem, 16, 2021
6DGA	Cronobacter turicensis RpfR quorum-sensing receptor RpfF interaction domain Descriptor: RpfR Authors: Waldron, E.J, Neiditch, M.B. Deposit date: 2018-05-17 Release date: 2019-01-02 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.19 Å) Cite: Structural basis of DSF recognition by its receptor RpfR and its regulatory interaction with the DSF synthase RpfF. PLoS Biol., 17, 2019
1TEE	Crystal structure of C205F mutant of PKS18 from Mycobacterium tuberculosis Descriptor: pks18 Authors: Sankaranarayanan, R, Shanmugam, V.M, Rukmini, R. Deposit date: 2004-05-25 Release date: 2004-08-03 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.9 Å) Cite: A novel tunnel in mycobacterial type III polyketide synthase reveals the structural basis for generating diverse metabolites Nat.Struct.Mol.Biol., 11, 2004
6UUW	Structure of human ATP citrate lyase E599Q mutant in complex with Mg2+, citrate, ATP and CoA Descriptor: (2S)-2-hydroxy-2-[2-oxo-2-(phosphonooxy)ethyl]butanedioic acid, ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, ... Authors: Wei, X, Marmorstein, R. Deposit date: 2019-11-01 Release date: 2019-12-25 Last modified: 2024-05-29 Method: ELECTRON MICROSCOPY (2.85 Å) Cite: Molecular basis for acetyl-CoA production by ATP-citrate lyase Nat.Struct.Mol.Biol., 27, 2020
3FG4	Crystal structure of Delta413-417:GS I805A LOX Descriptor: ACETIC ACID, ARACHIDONIC ACID, Allene oxide synthase-lipoxygenase protein, ... Authors: Neau, D.B, Newcomer, M.E. Deposit date: 2008-12-04 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.31 Å) Cite: The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity. Biochemistry, 48, 2009
8QER	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
1MZS	CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic acid inhibitor Descriptor: 1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)-1H-INDOLE-2-CARBOXYLIC ACID, 3-oxoacyl-[acyl-carrier-protein] synthase III, PHOSPHATE ION Authors: Daines, R.A, Pendrak, I, Sham, K, Van Aller, G.S, Konstantinidis, A.K, Lonsdale, J.T, Janson, C.A, Qui, X, Brandt, M, Silverman, C, Head, M.S. Deposit date: 2002-10-09 Release date: 2002-11-13 Last modified: 2017-10-11 Method: X-RAY DIFFRACTION (2.1 Å) Cite: First X-ray cocrystal structure of a bacterial FabH condensing enzyme and a small molecule inhibitor achieved using rational design and homology modeling J.Med.Chem., 46, 2003
6ZNW	Methanosaeta concilii ATP citrate lyase (D541A mutant) in complex with (3S)-citryl-CoA. Descriptor: (3S)-citryl-Coenzyme A, CITRATE ANION, Citrate lyase, ... Authors: Verschueren, K.H.G, Verstraete, K. Deposit date: 2020-07-06 Release date: 2021-07-14 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.121 Å) Cite: Acetyl-CoA is produced by the citrate synthase homology module of ATP-citrate lyase. Nat.Struct.Mol.Biol., 28, 2021
6HXN	Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P3121) Descriptor: ATP-citrate lyase alpha-subunit, COENZYME A, SULFATE ION Authors: Verstraete, K, Verschueren, K. Deposit date: 2018-10-17 Release date: 2019-04-10 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature, 568, 2019
3FG1	Crystal structure of Delta413-417:GS LOX Descriptor: ACETIC ACID, Allene oxide synthase-lipoxygenase protein, CALCIUM ION, ... Authors: Neau, D.B, Newcomer, M.E. Deposit date: 2008-12-04 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.85 Å) Cite: The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity. Biochemistry, 48, 2009
3MDL	X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of cyclooxygenase-2 Descriptor: (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Vecchio, A.J, Malkowski, M.G. Deposit date: 2010-03-30 Release date: 2011-04-13 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem., 286, 2011
3FG3	Crystal structure of Delta413-417:GS I805W LOX Descriptor: ACETIC ACID, Allene oxide synthase-lipoxygenase protein, CALCIUM ION, ... Authors: Neau, D.B, Newcomer, M.E. Deposit date: 2008-12-04 Release date: 2009-08-18 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.9 Å) Cite: The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity. Biochemistry, 48, 2009
4F32	Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase II from Burkholderia vietnamiensis in complex with platencin Descriptor: 1,2-ETHANEDIOL, 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-05-08 Release date: 2012-05-23 Last modified: 2014-02-12 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
8COU	Pa.FabF-C164Q in complex with 3-acetamido-4-methoxybenzoic acid Descriptor: 3-acetamido-4-methoxy-benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Georgiou, C, Brenk, R. Deposit date: 2023-02-28 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.68 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8COV	Pa.FabF-C164Q in complex with 6-chloro-2-methyl-1H-indole-5-carboxylic acid Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 6-chloranyl-2-methyl-1~{H}-indole-5-carboxylic acid, DIMETHYL SULFOXIDE, ... Authors: Georgiou, C, Brenk, R, Espeland, L.O. Deposit date: 2023-02-28 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.8 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
8R1V	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	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
8CN4	Pa.FabF-C164Q in complex with 5-acetamido-2-chlorobenzoic acid Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-acetamido-2-chloranyl-benzoic acid, DIMETHYL SULFOXIDE, ... Authors: Georgiou, C, Brenk, R. Deposit date: 2023-02-21 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.67 Å) Cite: New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
5OJO	Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-CPS1 peptide Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Carbamoyl-phosphate synthase [ammonia], ... Authors: Pannek, M, Steegborn, C. Deposit date: 2017-07-22 Release date: 2017-11-29 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Crystal structures of the mitochondrial deacylase Sirtuin 4 reveal isoform-specific acyl recognition and regulation features. Nat Commun, 8, 2017

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