5AE3
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![BU of 5ae3 by Molmil](/molmil-images/mine/5ae3) | Ether Lipid-Generating Enzyme AGPS in complex with antimycin A | Descriptor: | ALKYLDIHYDROXYACETONEPHOSPHATE SYNTHASE, PEROXISOMAL, FLAVIN-ADENINE DINUCLEOTIDE, ... | 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 (2.18 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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5AE1
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![BU of 5ae1 by Molmil](/molmil-images/mine/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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2RCM
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![BU of 2rcm by Molmil](/molmil-images/mine/2rcm) | Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), cytochrome P450 74A) at 1.73 A Resolution | Descriptor: | Cytochrome P450 74A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lee, D.S, Nioche, P, Raman, C.S. | Deposit date: | 2007-09-20 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes. Nature, 455, 2008
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6RCX
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![BU of 6rcx by Molmil](/molmil-images/mine/6rcx) | Mycobacterial 4'-phosphopantetheinyl transferase PptAb in complex with the ACP domain of PpsC. | Descriptor: | CACODYLATE ION, COENZYME A, MANGANESE (II) ION, ... | Authors: | Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Conformational flexibility of coenzyme A and its impact on the post-translational modification of acyl carrier proteins by 4'-phosphopantetheinyl transferases. Febs J., 287, 2020
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8CN7
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![BU of 8cn7 by Molmil](/molmil-images/mine/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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8CNE
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1W96
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![BU of 1w96 by Molmil](/molmil-images/mine/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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3DD3
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7DBI
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![BU of 7dbi by Molmil](/molmil-images/mine/7dbi) | Crystal structure of the peroxisomal acyl-CoA hydrolase MpaH | Descriptor: | acyl-CoA hydrolase MpaH' | Authors: | Li, S.Y, You, C. | Deposit date: | 2020-10-20 | Release date: | 2021-04-28 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis for substrate specificity of the peroxisomal acyl-CoA hydrolase MpaH' involved in mycophenolic acid biosynthesis. Febs J., 288, 2021
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8BQS
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![BU of 8bqs by Molmil](/molmil-images/mine/8bqs) | Cryo-EM structure of the I-II-III2-IV2 respiratory supercomplex from Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | Authors: | Muhleip, A, Kock Flygaard, R, Baradaran, R, Amunts, A. | Deposit date: | 2022-11-21 | Release date: | 2023-08-23 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of mitochondrial membrane bending by I-II-III2-IV2 supercomplex To Be Published
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8B6F
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![BU of 8b6f by Molmil](/molmil-images/mine/8b6f) | Cryo-EM structure of NADH:ubiquinone oxidoreductase (complex-I) from respiratory supercomplex of Tetrahymena thermophila | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2 iron, ... | Authors: | Muhleip, A, Kock Flygaard, R, Amunts, A. | Deposit date: | 2022-09-27 | Release date: | 2023-03-29 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis of mitochondrial membrane bending by the I-II-III 2 -IV 2 supercomplex. Nature, 615, 2023
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4PGT
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![BU of 4pgt by Molmil](/molmil-images/mine/4pgt) | CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ... | Authors: | Ji, X, Blaszczyk, J. | Deposit date: | 1999-03-22 | Release date: | 1999-09-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1. Biochemistry, 38, 1999
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2ROQ
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![BU of 2roq by Molmil](/molmil-images/mine/2roq) | Solution Structure of the thiolation-thioesterase di-domain of enterobactin synthetase component F | Descriptor: | Enterobactin synthetase component F | Authors: | Frueh, D.P, Arthanari, H, Koglin, A, Vosburg, D.A, Bennett, A.E, Walsh, C.T, Wagner, G. | Deposit date: | 2008-04-05 | Release date: | 2008-08-12 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Dynamic thiolation-thioesterase structure of a non-ribosomal peptide synthetase Nature, 454, 2008
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2VZE
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![BU of 2vze by Molmil](/molmil-images/mine/2vze) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP | Descriptor: | ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, ADENOSINE MONOPHOSPHATE, ... | Authors: | Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U. | Deposit date: | 2008-07-31 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A. J.Mol.Biol., 388, 2009
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8A8M
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![BU of 8a8m by Molmil](/molmil-images/mine/8a8m) | Structure of the MAPK p38alpha in complex with its activating MAP2K MKK6 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 6, MAGNESIUM ION, Mitogen-activated protein kinase 14, ... | Authors: | Bowler, M.W, Juyoux, P, Pellegrini, E. | Deposit date: | 2022-06-23 | Release date: | 2022-07-13 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Architecture of the MKK6-p38 alpha complex defines the basis of MAPK specificity and activation. Science, 381, 2023
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3BKX
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2RH4
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![BU of 2rh4 by Molmil](/molmil-images/mine/2rh4) | Actinorhodin ketoreductase, actKR, with NADPH and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-05 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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2RHC
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![BU of 2rhc by Molmil](/molmil-images/mine/2rhc) | Actinorhodin ketordeuctase, actKR, with NADP+ and Inhibitor Emodin | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, Actinorhodin Polyketide Ketoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Korman, T.P, Tsai, S.-C. | Deposit date: | 2007-10-08 | Release date: | 2008-08-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Inhibition kinetics and emodin cocrystal structure of a type II polyketide ketoreductase Biochemistry, 47, 2008
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6LLX
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3B7W
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![BU of 3b7w by Molmil](/molmil-images/mine/3b7w) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A, with L64P mutation | Descriptor: | Acyl-coenzyme A synthetase ACSM2A, mitochondrial precursor, CHLORIDE ION, ... | Authors: | Pilka, E.S, Kochan, G.T, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2007-10-31 | Release date: | 2007-11-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
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3C5E
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![BU of 3c5e by Molmil](/molmil-images/mine/3c5e) | Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with ATP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Acyl-coenzyme A synthetase ACSM2A, ... | Authors: | Pilka, E.S, Kochan, G.T, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2008-01-31 | Release date: | 2008-02-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural snapshots for the conformation-dependent catalysis by human medium-chain acyl-coenzyme A synthetase ACSM2A. J.Mol.Biol., 388, 2009
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6P9L
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6P9M
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6G2H
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![BU of 6g2h by Molmil](/molmil-images/mine/6g2h) | Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution | Descriptor: | Acetyl-CoA carboxylase 1 | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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6G2D
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![BU of 6g2d by Molmil](/molmil-images/mine/6g2d) | Citrate-induced acetyl-CoA carboxylase (ACC-Cit) filament at 5.4 A resolution | Descriptor: | Acetyl-CoA carboxylase 1 | Authors: | Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T. | Deposit date: | 2018-03-23 | Release date: | 2018-06-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.4 Å) | Cite: | Structural basis for regulation of human acetyl-CoA carboxylase. Nature, 558, 2018
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