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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
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
2NM0	Crystal Structure of SCO1815: a Beta-Ketoacyl-Acyl Carrier Protein Reductase from Streptomyces coelicolor A3(2) Descriptor: Probable 3-oxacyl-(Acyl-carrier-protein) reductase Authors: Khosla, C, Tang, Y, Lee, H.Y, Tang, Y, Kim, C.Y, Mathews, I.I. Deposit date: 2006-10-20 Release date: 2007-01-02 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Structural and functional studies on SCO1815: a beta-ketoacyl-acyl carrier protein reductase from Streptomyces coelicolor A3(2). Biochemistry, 45, 2006
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
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
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
4X90	Crystal structure of Lysosomal Phospholipase A2 Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Glukhova, A, Tesmer, J.J.G. Deposit date: 2014-12-11 Release date: 2015-03-11 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (1.84 Å) Cite: Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase. Nat Commun, 6, 2015
4X93	Crystal structure of Lysosomal Phospholipase A2 crystallized in the presence of methyl arachidonyl fluorophosphonate (tetragonal form) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Glukhova, A, Tesmer, J.J.G. Deposit date: 2014-12-11 Release date: 2015-03-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase. Nat Commun, 6, 2015
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
4X97	Crystal structure of Lysosomal Phospholipase A2 in complex with methyl arachidonyl fluorophosphonate (MAFP) Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... Authors: Glukhova, A, Tesmer, J.J.G. Deposit date: 2014-12-11 Release date: 2015-03-11 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structure and function of lysosomal phospholipase A2 and lecithin:cholesterol acyltransferase. Nat Commun, 6, 2015
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
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
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
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
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
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
4MV6	Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with Phosphonoacetamide Descriptor: 1,2-ETHANEDIOL, Biotin carboxylase, PHOSPHONOACETAMIDE Authors: Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. Deposit date: 2013-09-23 Release date: 2015-01-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.77 Å) Cite: Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
4MV9	Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with Bicarbonate Descriptor: 1,2-ETHANEDIOL, BICARBONATE ION, Biotin carboxylase Authors: Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. Deposit date: 2013-09-23 Release date: 2015-01-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.98 Å) Cite: Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
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
4MV1	Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with ADP and Phosphate Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, ... Authors: Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. Deposit date: 2013-09-23 Release date: 2015-01-14 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.91 Å) Cite: Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase. Biochemistry, 54, 2015
3H77	Crystal structure of Pseudomonas aeruginosa PqsD in a covalent complex with anthranilate Descriptor: Anthraniloyl-coenzyme A, 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
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

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