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4HR7	Crystal Structure of Biotin Carboxyl Carrier Protein-Biotin Carboxylase Complex from E.coli Descriptor: 1,2-ETHANEDIOL, Biotin carboxyl carrier protein of acetyl-CoA carboxylase, Biotin carboxylase, ... Authors: Broussard, T.C, Kobe, M.J, Pakhomova, S, Neau, D.B, Price, A.E, Champion, T.S, Waldrop, G.L. Deposit date: 2012-10-26 Release date: 2013-03-13 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.495 Å) Cite: The three-dimensional structure of the biotin carboxylase-biotin carboxyl carrier protein complex of E. coli acetyl-CoA carboxylase. Structure, 21, 2013
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
3NTG	Crystal structure of COX-2 with selective compound 23d-(R) Descriptor: (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. Deposit date: 2010-07-04 Release date: 2010-10-27 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.19 Å) Cite: The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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
4RRY	Crystal Structure of Apo Murine H90W Cyclooxygenase-2 Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Prostaglandin G/H synthase 2, ... Authors: Xu, S, Blobaum, A.L, Banerjee, S, Marnett, L.J. Deposit date: 2014-11-06 Release date: 2015-04-08 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.429 Å) Cite: Action at a Distance: MUTATIONS OF PERIPHERAL RESIDUES TRANSFORM RAPID REVERSIBLE INHIBITORS TO SLOW, TIGHT BINDERS OF CYCLOOXYGENASE-2. J.Biol.Chem., 290, 2015
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
4JRH	Crystal structure of beta-ketoacyl-ACP synthase II (FabF) from Vibrio Cholerae (space group P43) at 2.2 Angstrom Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, ACETATE ION Authors: Hou, J, Chruszcz, M, Shabalin, I.G, Zheng, H, Cooper, D.R, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2013-03-21 Release date: 2013-04-03 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite:
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
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
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
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
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
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
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
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
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
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
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
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
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

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