PDB: 1139 件ウェブページステータス検索Chemie searchBIRD

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7OC0	Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid 分子名称: (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... 著者 Georgiou, C, Brenk, R, Espeland, L.O, Klein, R. 登録日 2021-04-25 公開日 2021-08-25 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 An Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics. Chemmedchem, 16, 2021
4OQJ	Streptomcyes albus JA3453 oxazolomycin ketosynthase domain OzmQ KS1 分子名称: GLYCEROL, PHOSPHATE ION, PKS, ... 著者 Nocek, B, Mack, J, Endras, M, Babnigg, G, 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) 登録日 2014-02-09 公開日 2014-03-19 最終更新日 2016-11-02 実験手法 X-RAY DIFFRACTION (1.904 Å) 主引用文献 Structural and evolutionary relationships of "AT-less" type I polyketide synthase ketosynthases. Proc.Natl.Acad.Sci.USA, 112, 2015
3HYK	2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP) 分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, CHLORIDE ION, Holo-[acyl-carrier-protein] synthase, ... 著者 Halavaty, A.S, Minasov, G, Skarina, T, Onopriyenko, O, Papazisi, L, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2009-06-22 公開日 2009-06-30 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria. Acta Crystallogr.,Sect.D, 68, 2012
5DZ6	Acyl transferase from Bacillaene PKS 分子名称: 1,2-ETHANEDIOL, BROMIDE ION, CHLORIDE ION, ... 著者 Till, M, Race, P.R. 登録日 2015-09-25 公開日 2016-10-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Architectural hierarchy of trans-acting enoyl reductases from polyunsaturated fatty acid and trans-acyltransferase polyketide synthases To Be Published
2GFY	Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid 分子名称: 3-oxoacyl-[acyl-carrier-protein] synthase 2, LAURIC ACID 著者 Soisson, S.M, Parthasarathy, G. 登録日 2006-03-23 公開日 2006-05-23 最終更新日 2021-10-20 実験手法 X-RAY DIFFRACTION (2.85 Å) 主引用文献 Platensimycin is a selective FabF inhibitor with potent antibiotic properties. Nature, 441, 2006
4C72	Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5 分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ... 著者 Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. 登録日 2013-09-19 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 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
4C6Z	Crystal structure of M. tuberculosis C171Q KasA in complex with TLM3 分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-3-ethyl-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, ... 著者 Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. 登録日 2013-09-19 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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
3R44	Mycobacterium tuberculosis fatty acyl CoA synthetase 分子名称: HISTIDINE, MALONATE ION, fatty acyl CoA synthetase FADD13 (FATTY-ACYL-CoA SYNTHETASE) 著者 Andersson, C.S, Martinez Molina, D, Hogbom, M. 登録日 2011-03-17 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 The Mycobacterium tuberculosis Very-Long-Chain Fatty Acyl-CoA Synthetase: Structural Basis for Housing Lipid Substrates Longer than the Enzyme. Structure, 20, 2012
7D41	Crystal structure of type III polyketide synthase from Mycobacterium marinum - P 21 21 21 Space group 分子名称: Chalcone synthase-like protein, Chalcone/stilbene synthase, OCTANOIC ACID (CAPRYLIC ACID) 著者 Pratap, S, Kant, A, Saxena, P, Krishnan, V. 登録日 2020-09-21 公開日 2022-03-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.419 Å) 主引用文献 crystal structure of type III polyketide synthase from Mycobacterium marinum To Be Published
3QH0	X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Vecchio, A.J, Malkowski, M.G. 登録日 2011-01-25 公開日 2011-04-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Human cyclooxygenase-2 is a sequence homodimer that functions as a conformational heterodimer. J.Biol.Chem., 286, 2011
6DGN	Cronobacter turicensis BDSF synthase RpfF in complex with the RpfR quorum-sensing receptor FI domain 分子名称: GLYCEROL, PHOSPHATE ION, RpfF, ... 著者 Waldron, E.J, Neiditch, M.B. 登録日 2018-05-17 公開日 2019-01-02 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.999 Å) 主引用文献 Structural basis of DSF recognition by its receptor RpfR and its regulatory interaction with the DSF synthase RpfF. PLoS Biol., 17, 2019
5I0K	Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases 分子名称: CROTONYL COENZYME A, Phthiocerol synthesis polyketide synthase type I PpsC 著者 Faille, A, Mourey, L, Pedelacq, J.D. 登録日 2016-02-04 公開日 2017-08-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.197 Å) 主引用文献 Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases. J. Mol. Biol., 429, 2017
4C6U	Crystal structure of M. tuberculosis KasA in complex with TLM5 分子名称: (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... 著者 Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. 登録日 2013-09-19 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 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
4C6V	Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min) 分子名称: (5R)-3-acetyl-4-hydroxy-5-methyl-5-[(1Z)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... 著者 Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. 登録日 2013-09-19 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 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
4C70	Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4 分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... 著者 Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. 登録日 2013-09-19 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 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
4C73	Crystal structure of M. tuberculosis C171Q KasA in complex with TLM6 分子名称: (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-4-oxidanyl-3-[2,2,2-tris(fluoranyl)ethanoyl]thiophen-2-one, 1,2-ETHANEDIOL, ... 著者 Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. 登録日 2013-09-19 公開日 2013-10-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 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
4JAR	Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide intermediates and evidence that it synthesize ALKYLPYRONES 分子名称: Alpha-pyrone synthesis polyketide synthase-like Pks11 著者 Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) 登録日 2013-02-19 公開日 2013-04-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Crystal structure of Mycobacterium tuberculosis polyketide synthase 11 (PKS11) reveals intermediates in the synthesis of methyl-branched alkylpyrones. J.Biol.Chem., 288, 2013
7WVZ	CalA3_modular PKS_KS-AT-DH-KR 分子名称: Beta-ketoacyl-acyl-carrier-protein synthase I 著者 Wang, J, Wang, Z. 登録日 2022-02-12 公開日 2023-02-22 最終更新日 2023-10-11 実験手法 ELECTRON MICROSCOPY (3.38 Å) 主引用文献 C-N bond formation by a polyketide synthase. Nat Commun, 14, 2023
3EE2	Structure of human prostaglandin D-synthase (hGSTS1-1) in complex with nocodazole 分子名称: GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, MAGNESIUM ION, ... 著者 Oakley, A.J. 登録日 2008-09-04 公開日 2008-09-16 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D(2) synthase Eur.J.Med.Chem., 45, 2010
7M7E	6-Deoxyerythronolide B synthase (DEBS) hybrid module (M3/1) in complex with antibody fragment 1B2 分子名称: 1B2 (heavy chain), 1B2 (light chain), 6-deoxyerythronolide-B synthase EryA2, ... 著者 Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. 登録日 2021-03-28 公開日 2021-11-17 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
7M7G	6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 2 分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... 著者 Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. 登録日 2021-03-28 公開日 2021-11-17 実験手法 ELECTRON MICROSCOPY (4.1 Å) 主引用文献 Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
7M7H	6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1' 分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... 著者 Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. 登録日 2021-03-28 公開日 2021-11-17 実験手法 ELECTRON MICROSCOPY (4.1 Å) 主引用文献 Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
7M7F	6-Deoxyerythronolide B synthase (DEBS) module 1 in complex with antibody fragment 1B2: State 1 分子名称: 1B2 (heavy chain), 1B2 (light chain), EryAI,6-deoxyerythronolide-B synthase EryA3, ... 著者 Cogan, D.P, Zhang, K, Chiu, W, Khosla, C. 登録日 2021-03-28 公開日 2021-11-17 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Mapping the catalytic conformations of an assembly-line polyketide synthase module. Science, 374, 2021
3HEM	Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine 分子名称: CARBONATE ION, Cyclopropane-fatty-acyl-phospholipid synthase 2, N-octyloctan-1-amine 著者 Liu, Z, Sacchettini, J.C. 登録日 2009-05-09 公開日 2009-06-16 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 Structure of Mycobacterium tuberculosis Mycolic Acid Cyclopropane Synthase CmaA2 in Complex with Dioctylamine TO BE PUBLISHED
3O8J	Crystal structure of 2-methylcitrate synthase (PrpC) from Salmonella typhimurium 分子名称: 2-methylcitrate synthase, GLYCEROL 著者 Chittori, S, Savithri, H.S, Murthy, M.R.N. 登録日 2010-08-03 公開日 2011-04-13 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Crystal structure of Salmonella typhimurium 2-methylcitrate synthase: Insights on domain movement and substrate specificity J.Struct.Biol., 174, 2011

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