PDB: 1143 resultsInfo pagesStatus searchChemie searchBIRD

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5W8E	The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct of SAH and IV-CoA Descriptor: (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid, ADENINE, Autoinducer synthase, ... Authors: Dong, S.-H, Nair, S.K. Deposit date: 2017-06-21 Release date: 2017-08-23 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Molecular basis for the substrate specificity of quorum signal synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3LRF	Crystal structure of beta-ketoacyl synthase from brucella melitensis Descriptor: Beta-ketoacyl synthase, SODIUM ION Authors: Abendroth, J, Edwards, T, Staker, B, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-02-11 Release date: 2010-03-31 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
7R7G	Synechococcus Olefin Synthase FAAL domain A229I/R336A in complex with palmitoyl adenylate and pyrophosphate Descriptor: ACETATE ION, MAGNESIUM ION, PYROPHOSPHATE 2-, ... Authors: Sikkema, A.P, Strugis, R.M, Smith, J.L. Deposit date: 2021-06-24 Release date: 2022-07-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.25 Å) Cite: An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002 To Be Published
7R7F	Synechococcus Olefin Synthase FAAL domain R336A in complex with stearoyl adenylate and pyrophosphate Descriptor: ACETATE ION, MAGNESIUM ION, PYROPHOSPHATE 2-, ... Authors: Sikkema, A.P, Strugis, R.M, Smith, J.L. Deposit date: 2021-06-24 Release date: 2022-07-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.13 Å) Cite: An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002 To Be Published
7R7E	Synechococcus Olefin Synthase FAAL domain in complex with AMP and pyrophosphate Descriptor: ACETATE ION, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... Authors: Sikkema, A.P, Strugis, R.M, Smith, J.L. Deposit date: 2021-06-24 Release date: 2022-07-06 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.99 Å) Cite: An electrostatic fatty acid selection mechanism by the Olefin Synthase FAAL domain from Synechococcus sp. PCC7002 To Be Published
3MQD	Crystal structure of beta-ketoacyl synthase from brucella melitensis with FOL 0758, (1-methyl-1h-indazol-3-yl) methanol Descriptor: (5-thiophen-2-ylisoxazol-3-yl)methanol, Beta-ketoacyl synthase, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2010-04-28 Release date: 2010-06-09 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
2QX1	Crystal structure of the complex between mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FABH) and decyl-COA disulfide Descriptor: Beta-ketoacyl-ACP synthase III, COENZYME A, DECANE-1-THIOL Authors: Sachdeva, S, Musayev, F, Alhamadsheh, M, Scarsdale, J.N, Wright, H.T, Reynolds, K.A. Deposit date: 2007-08-10 Release date: 2008-03-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Probing reactivity and substrate specificity of both subunits of the dimeric Mycobacterium tuberculosis FabH using alkyl-CoA disulfide inhibitors and acyl-CoA substrates Bioorg.Chem., 36, 2008
1B3N	BETA-KETOACYL CARRIER PROTEIN SYNTHASE AS A DRUG TARGET, IMPLICATIONS FROM THE CRYSTAL STRUCTURE OF A COMPLEX WITH THE INHIBITOR CERULENIN. Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, PROTEIN (KETOACYL ACYL CARRIER PROTEIN SYNTHASE 2) Authors: Moche, M, Schneider, G, Edwards, P, Dehesh, K, Lindqvist, Y. Deposit date: 1998-12-14 Release date: 1999-04-06 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Structure of the complex between the antibiotic cerulenin and its target, beta-ketoacyl-acyl carrier protein synthase. J.Biol.Chem., 274, 1999
6HXI	Structure of ATP citrate lyase from Methanothrix soehngenii in complex with citrate and coenzyme A Descriptor: ACETATE ION, CITRATE ANION, COENZYME A, ... Authors: Verstraete, K, Verschueren, K. Deposit date: 2018-10-17 Release date: 2019-04-10 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle. Nature, 568, 2019
8GSA	Solution structure of holo acyl carrier protein A from Enterococcus faecalis Descriptor: Acyl carrier protein Authors: Yeon, J, Kim, Y. Deposit date: 2022-09-05 Release date: 2023-03-29 Last modified: 2024-05-08 Method: SOLUTION NMR Cite: Structural study of acyl carrier protein of Enterococcus faecalis and its interaction with enzymes in de novo fatty acid synthesis. Biochem.Biophys.Res.Commun., 637, 2022
4C71	Crystal structure of M. tuberculosis C171Q KasA in complex with TLM18 Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (R,E)-3-(4-AZIDOBUTYL)-4-HYDROXY-5-METHYL-5-(2-METHYLBUTA-1,3-DIEN-1-YL)THIOPHEN-2(5H)-ONE, 1,2-ETHANEDIOL, ... Authors: Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. Deposit date: 2013-09-19 Release date: 2013-10-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
3U0F	The structure of Beta-ketoacyl synthase from Brucella melitensis bound to the fragment 7-hydroxycoumarin Descriptor: 7-hydroxy-2H-chromen-2-one, Beta-ketoacyl synthase, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-09-28 Release date: 2011-10-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.25 Å) Cite: Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
3U0E	Crystal structure of beta-ketoacyl synthase from Brucella melitensis in complex with fragment 9320 Descriptor: 8-methylquinolin-4-amine, Beta-ketoacyl synthase, CHLORIDE ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-09-28 Release date: 2011-10-26 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structural characterization of beta-ketoacyl ACP synthase I bound to platencin and fragment screening molecules at two substrate binding sites. Proteins, 88, 2020
4JAP	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones Descriptor: (2S)-2-methyl-3-oxooctadecanoic acid, Alpha-pyrone synthesis polyketide synthase-like Pks11, COENZYME A, ... Authors: Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2013-02-19 Release date: 2013-04-24 Last modified: 2013-11-27 Method: X-RAY DIFFRACTION (1.833 Å) Cite: Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones. J.Biol.Chem., 288, 2013
4JAQ	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones Descriptor: 3,5-dioxoicosanoic acid, Alpha-pyrone synthesis polyketide synthase-like Pks11, COENZYME A, ... Authors: Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2013-02-19 Release date: 2013-04-24 Last modified: 2013-11-27 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones. J.Biol.Chem., 288, 2013
4C6W	Crystal structure of M. tuberculosis C171Q KasA Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... Authors: Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. Deposit date: 2013-09-19 Release date: 2013-10-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
4C6X	Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM) Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... Authors: Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. Deposit date: 2013-09-19 Release date: 2013-10-09 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
5CC6	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-5-carboxylic acid Descriptor: 1H-indole-5-carboxylic acid, MAGNESIUM ION, Malate synthase G Authors: Huang, H.-L, Sacchettini, J.C. Deposit date: 2015-07-01 Release date: 2016-08-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs To Be Published
5CC3	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 6-bromo-1H-indole-2-carboxylic acid Descriptor: 6-bromanyl-1H-indole-2-carboxylic acid, MAGNESIUM ION, Malate synthase G Authors: Huang, H.-L, Sacchettini, J.C. Deposit date: 2015-07-01 Release date: 2016-08-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.204 Å) Cite: Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs To Be Published
4QYR	Streptomyces platensis isomigrastatin ketosynthase domain MgsE KS3 Descriptor: ACETIC ACID, AT-less polyketide synthase, CHLORIDE ION, ... Authors: Kim, Y, Li, H, Endres, M, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) Deposit date: 2014-07-25 Release date: 2014-08-20 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.902 Å) Cite: Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
5CC7	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-6-carboxylic acid Descriptor: 1H-indole-6-carboxylic acid, MAGNESIUM ION, Malate synthase G Authors: Huang, H.-L, Sacchettini, J.C. Deposit date: 2015-07-01 Release date: 2016-08-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.12 Å) Cite: Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs To Be Published
4JAO	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones Descriptor: (2S)-2-methylheptadecan-1-ol, Alpha-pyrone synthesis polyketide synthase-like Pks11, PALMITIC ACID Authors: Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2013-02-18 Release date: 2013-04-24 Last modified: 2013-11-27 Method: X-RAY DIFFRACTION (2.05 Å) Cite: Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones. J.Biol.Chem., 288, 2013
5CC5	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 1H-indole-3-carboxylic acid Descriptor: 1H-INDOLE-3-CARBOXYLIC ACID, GLYOXYLIC ACID, MAGNESIUM ION, ... Authors: Huang, H.-L, Sacchettini, J.C. Deposit date: 2015-07-01 Release date: 2016-08-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Crystal structures of fragment-bound malate synthase from Mycobacterium tuberculosis provide insights into mechanism and potential inhibitor designs To Be Published
5IKT	The Structure of Tolfenamic Acid Bound to Human Cyclooxygenase-2 Descriptor: 2-[(3-chloro-2-methylphenyl)amino]benzoic 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: Orlando, B.J, Malkowski, M.G. Deposit date: 2016-03-03 Release date: 2016-05-25 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.451 Å) Cite: Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016
5IKR	The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 Descriptor: 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ... Authors: Orlando, B.J, Malkowski, M.G. Deposit date: 2016-03-03 Release date: 2016-05-25 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.342 Å) Cite: Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone. J.Biol.Chem., 291, 2016

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