5GUF
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8CNE
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8CN7
| Pa.FabF-C164Q in complex with platencin | Descriptor: | 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, DIMETHYL SULFOXIDE | Authors: | Georgiou, C, Brenk, R. | Deposit date: | 2023-02-22 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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4PH9
| The structure of Ibuprofen bound to cyclooxygenase-2 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Orlando, B.J, Lucido, M.J, Malkowski, M.G. | Deposit date: | 2014-05-05 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The structure of ibuprofen bound to cyclooxygenase-2. J.Struct.Biol., 189, 2015
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3OUU
| Crystal Structure of Biotin Carboxylase-beta-gamma-ATP Complex from Campylobacter jejuni | Descriptor: | Biotin carboxylase, CACODYLATE ION, CALCIUM ION, ... | Authors: | Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-09-15 | Release date: | 2010-10-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Crystal Structure of Biotin Carboxylase-beta-gamma-ATP Complex from Campylobacter jejuni TO BE PUBLISHED
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5AE1
| Ether Lipid-Generating Enzyme AGPS in complex with inhibitor ZINC69435460 | Descriptor: | (3-(2-FLUOROPHENYL)-N-(1-(2-OXO-2,3-DIHYDRO-1H-BENZO[D]IMIDAZOL-5-YL)ETHYL)BUTANAMIDE), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | Deposit date: | 2015-08-25 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
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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
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5ADZ
| Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1a | Descriptor: | (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide), ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | Deposit date: | 2015-08-25 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
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3OLU
| X-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2 | Descriptor: | (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Vecchio, A.J, Malkowski, M.G. | Deposit date: | 2010-08-26 | Release date: | 2011-04-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The structural basis of endocannabinoid oxygenation by cyclooxygenase-2. J.Biol.Chem., 286, 2011
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8PD1
| Pseudomonas aeruginosa FabF C164A mutant in complex with N-isopropyl-1H-imidazole-4-carboxamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Georgiou, C, Brenk, R, Yadrykhinsky, V, Espeland, L.O. | Deposit date: | 2023-06-11 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | New starting points for antibiotics targeting P. aeruginosa FabF discovered by crystallographic fragment screening followed by hit expansion Chemrxiv, 2023
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1BNC
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7TWA
| Crystal structure of apo BesC from Streptomyces cattleya | Descriptor: | 1,3-BUTANEDIOL, 4-chloro-allylglycine synthase, ACETATE ION, ... | Authors: | Neugebauer, M.E, McBride, M.J, Boal, A.K, Chang, M.C.Y. | Deposit date: | 2022-02-07 | Release date: | 2022-04-13 | Last modified: | 2022-04-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Substrate-Triggered mu-Peroxodiiron(III) Intermediate in the 4-Chloro-l-Lysine-Fragmenting Heme-Oxygenase-like Diiron Oxidase (HDO) BesC: Substrate Dissociation from, and C4 Targeting by, the Intermediate. Biochemistry, 61, 2022
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3KK6
| Crystal Structure of Cyclooxygenase-1 in complex with celecoxib | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ... | Authors: | Sidhu, R.S. | Deposit date: | 2009-11-04 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1. Proc.Natl.Acad.Sci.USA, 107, 2010
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6SMP
| AntDE:AntF (holo): type II PKS acyl-carrier protein in complex with its ketosynthase bound to the hexaketide | Descriptor: | (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide, 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 (2.9 Å) | Cite: | Structural snapshots of the minimal PKS system responsible for octaketide biosynthesis. Nat.Chem., 12, 2020
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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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5AE2
| Ether Lipid-Generating Enzyme AGPS in complex with inhibitor 1e | Descriptor: | 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide, ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, ... | Authors: | Piano, V, Benjamin, D.I, Valente, S, Nenci, S, Marrocco, B, Mai, A, Aliverti, A, Nomura, D.K, Mattevi, A. | Deposit date: | 2015-08-25 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Inhibitors for the Ether Lipid-Generating Enzyme Agps as Anti-Cancer Agents. Acs Chem.Biol., 10, 2015
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3JRW
| Phosphorylated BC domain of ACC2 | Descriptor: | Acetyl-CoA carboxylase 2 | Authors: | Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S. | Deposit date: | 2009-09-09 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK Biochem.Biophys.Res.Commun., 391, 2010
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4DFE
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3JRX
| Crystal structure of the BC domain of ACC2 in complex with soraphen A | Descriptor: | Acetyl-CoA carboxylase 2, SORAPHEN A | Authors: | Cho, Y.S, Lee, J.I, Shin, D, Kim, H.T, Lee, T.G, Heo, Y.S. | Deposit date: | 2009-09-09 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular mechanism for the regulation of human ACC2 through phosphorylation by AMPK. Biochem.Biophys.Res.Commun., 391, 2010
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3TEJ
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5SNO
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7Q5Q
| Protein community member oxoglutarate dehydrogenase complex E2 core from C. thermophilum | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase | Authors: | Chojnowski, G, Skalidis, I, Kyrilis, F.L, Tueting, C, Hamdi, F, Kastritis, P.L. | Deposit date: | 2021-11-04 | Release date: | 2022-02-02 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (4.38 Å) | Cite: | Cryo-EM and artificial intelligence visualize endogenous protein community members. Structure, 30, 2022
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1W96
| Crystal Structure of Biotin Carboxylase Domain of Acetyl-coenzyme A Carboxylase from Saccharomyces cerevisiae in Complex with Soraphen A | Descriptor: | ACETYL-COENZYME A CARBOXYLASE, SORAPHEN A | Authors: | Shen, Y, Volrath, S.L, Weatherly, S.C, Elich, T.D, Tong, L. | Deposit date: | 2004-10-06 | Release date: | 2005-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A Mechanism for the Potent Inhibition of Eukaryotic Acetyl-Coenzyme a Carboxylase by Soraphen A, a Macrocyclic Polyketide Natural Product Mol.Cell, 16, 2004
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1DV1
| STRUCTURE OF BIOTIN CARBOXYLASE (APO) | Descriptor: | BIOTIN CARBOXYLASE, PHOSPHATE ION | Authors: | Thoden, J.B, Blanchard, C.Z, Holden, H.M, Waldrop, G.L. | Deposit date: | 2000-01-19 | Release date: | 2000-06-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Movement of the biotin carboxylase B-domain as a result of ATP binding. J.Biol.Chem., 275, 2000
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1W93
| Crystal Structure of Biotin Carboxylase Domain of Acetyl-Coenzyme A Carboxylase from Saccharomyces cerevisiae | Descriptor: | ACETYL-COENZYME A CARBOXYLASE | Authors: | Shen, Y, Volrath, S.L, Weatherly, S.C, Elich, T.D, Tong, L. | Deposit date: | 2004-10-05 | Release date: | 2005-01-04 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Mechanism for the Potent Inhibition of Eukaryotic Acetyl-Coenzyme a Carboxylase by Soraphen A, a Macrocyclic Polyketide Natural Product Mol.Cell, 16, 2004
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