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4GOX	Sulfotransferase Domain from the Synechococcus PCC 7002 Olefin Synthase Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Polyketide synthase Authors: McCarthy, J.G, Smith, J.L. Deposit date: 2012-08-20 Release date: 2012-10-17 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural basis of functional group activation by sulfotransferases in complex metabolic pathways. Acs Chem.Biol., 7, 2012
3H76	Crystal structure of PqsD, a key enzyme in Pseudomonas aeruginosa quinolone signal biosynthesis pathway Descriptor: PQS biosynthetic enzyme Authors: Bera, A.K, Atanasova, V, Parsons, J.F. Deposit date: 2009-04-24 Release date: 2009-09-15 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure of PqsD, a Pseudomonas quinolone signal biosynthetic enzyme, in complex with anthranilate. Biochemistry, 48, 2009
3QMO	X-ray crystal structure of NS-398 bound to the cyclooxygenase channel of cyclooxygenase-2 Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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: 2011-02-04 Release date: 2011-08-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (3 Å) Cite: The structure of NS-398 bound to cyclooxygenase-2. J.Struct.Biol., 176, 2011
8ET0	Crystal Complex of murine Cyclooxygenase-2 with alpaca nanobody F9 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IBUPROFEN, ... Authors: Xu, S, Banerjee, S, Uddin, M.J, Goodman, M.C, Marnett, L.J. Deposit date: 2022-10-15 Release date: 2023-10-18 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Crystal complex of murine cycloxygenase-2 with alpaca nanobody F9 To Be Published
2W6N	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series Descriptor: 2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.87 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
6V3R	Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ... Authors: Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J. Deposit date: 2019-11-26 Release date: 2020-02-26 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.66 Å) Cite: Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors. Acs Med.Chem.Lett., 11, 2020
4DDO	Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase ii from burkholderia vietnamiensis Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, SODIUM ION Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-01-19 Release date: 2012-05-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
7WUA	Crystal structures of FadD32 from Corynebacterium diphtheriae Descriptor: Acyl-CoA synthase, MAGNESIUM ION, MYRISTIC ACID, ... Authors: Liu, X. Deposit date: 2022-02-07 Release date: 2022-08-10 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.999 Å) Cite: Crystal structures of FadD32 and pks13-ACP domain from Corynebacterium diphtheriae Biochem Biophys Res Commun, 590, 2022
4KTM	Crystal Structure of C143S Xanthomonas campestris OleA Descriptor: 3-oxoacyl-[ACP] synthase III, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION Authors: Goblirsch, B.R. Deposit date: 2013-05-20 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.36 Å) Cite: Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis. J.Biol.Chem., 291, 2016
2V59	CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 2 Descriptor: 6-(2,6-DIMETHOXYPHENYL)PYRIDO[2,3-D]PYRIMIDINE-2,7-DIAMINE, BIOTIN CARBOXYLASE Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-10-02 Release date: 2009-01-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
2UUU	alkyldihydroxyacetonephosphate synthase in P212121 Descriptor: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, FLAVIN-ADENINE DINUCLEOTIDE, HEXADECAN-1-OL Authors: Razeto, A, Mattiroli, F, Carpanelli, E, Aliverti, A, Pandini, V, Coda, A, Mattevi, A. Deposit date: 2007-03-07 Release date: 2007-06-26 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: The Crucial Step in Ether Phospholipid Biosynthesis: Structural Basis of a Noncanonical Reaction Associated with a Peroxisomal Disorder. Structure, 15, 2007
2V58	CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 Descriptor: 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-10-02 Release date: 2009-01-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
2V5A	CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 3 Descriptor: 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-10-02 Release date: 2009-01-13 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.31 Å) Cite: A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
2W6Z	Crystal structure of Biotin carboxylase from E. coli in complex with the 3-(3-Methyl-but-2-enyl)-3H-purin-6-ylamine fragment Descriptor: 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6O	Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment Descriptor: 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
4KU2	Crystal Structure C143A from Xanthomonas campestris Bound with Myristoyl-CoA Descriptor: 3-oxoacyl-[ACP] synthase III, TETRADECANOYL-COA Authors: Goblirsch, B.R. Deposit date: 2013-05-21 Release date: 2014-07-23 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.974 Å) Cite: Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis. J.Biol.Chem., 291, 2016
2W6P	Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine Descriptor: 5-methyl-6-phenylquinazoline-2,4-diamine, ACETYL-COA CARBOXYLASE Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6M	Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series Descriptor: (2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2UUV	alkyldihydroxyacetonephosphate synthase in P1 Descriptor: ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, FLAVIN-ADENINE DINUCLEOTIDE, HEXADECAN-1-OL Authors: Razeto, A, Mattiroli, F, Carpanelli, E, Aliverti, A, Pandini, V, Coda, A, Mattevi, A. Deposit date: 2007-03-07 Release date: 2007-06-26 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.99 Å) Cite: The Crucial Step in Ether Phospholipid Biosynthesis: Structural Basis of a Noncanonical Reaction Associated with a Peroxisomal Disorder. Structure, 15, 2007
2W70	Crystal structure of Biotin carboxylase from E. coli in complex with the amino-thiazole-pyrimidine fragment Descriptor: 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W6Q	Crystal structure of Biotin carboxylase from E. coli in complex with the triazine-2,4-diamine fragment Descriptor: 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-18 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
2W71	Crystal structure of Biotin carboxylase from E. coli in complex with the imidazole-pyrimidine inhibitor Descriptor: 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine, BIOTIN CARBOXYLASE, CHLORIDE ION Authors: Mochalkin, I, Miller, J.R. Deposit date: 2008-12-19 Release date: 2009-05-19 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches. Acs Chem.Biol., 4, 2009
4KTI	Crystal Structure of C143A Xathomonas campestris OleA Descriptor: 3-oxoacyl-[ACP] synthase III Authors: Goblirsch, B.R. Deposit date: 2013-05-20 Release date: 2014-07-23 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.839 Å) Cite: Substrate Trapping in Crystals of the Thiolase OleA Identifies Three Channels That Enable Long Chain Olefin Biosynthesis. J.Biol.Chem., 291, 2016
4EWG	Crystal structure of a Beta-ketoacyl synthase from Burkholderia phymatum STM815 Descriptor: 1,2-ETHANEDIOL, Beta-ketoacyl synthase, CALCIUM ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-04-26 Release date: 2012-05-16 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
6SMO	AntDE:AntF (apo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide Descriptor: 3,5,7,9,11-pentakis(oxidanylidene)dodecanal, Acyl carrier protein, Ketoacyl_synth_N domain-containing protein, ... Authors: Braeuer, A, Zhou, Q, Grammbitter, G.L.C, Schmalhofer, M, Ruehl, M, Kaila, V.R.I, Bode, H, Groll, M. Deposit date: 2019-08-22 Release date: 2020-05-27 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020

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