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1FJ8	THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH CERULENIN, IMPLICATIONS FOR DRUG DESIGN Descriptor: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I Authors: Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. Deposit date: 2000-08-07 Release date: 2000-08-23 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.27 Å) Cite: Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism. J.Biol.Chem., 276, 2001
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
1FJ4	THE STRUCTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I IN COMPLEX WITH THIOLACTOMYCIN, IMPLICATIONS FOR DRUG DESIGN Descriptor: BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE I, THIOLACTOMYCIN Authors: Price, A.C, Choi, K, Heath, R.J, Li, Z, White, S.W, Rock, C.O. Deposit date: 2000-08-07 Release date: 2000-08-23 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Inhibition of beta-ketoacyl-acyl carrier protein synthases by thiolactomycin and cerulenin. Structure and mechanism. J.Biol.Chem., 276, 2001
1L1E	Crystal Structure of Mycolic Acid Cyclopropane Synthase PcaA Complexed with S-adenosyl-L-homocysteine Descriptor: CARBONATE ION, S-ADENOSYL-L-HOMOCYSTEINE, mycolic acid synthase Authors: Huang, C.-C, Smith, C.V, Glickman, M.S, Jacobs Jr, W.R, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC) Deposit date: 2002-02-15 Release date: 2002-03-06 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structures of mycolic acid cyclopropane synthases from Mycobacterium tuberculosis. J.Biol.Chem., 277, 2002
1U6E	1.85 Angstrom Crystal Structure of the C112A Mutant of Mycobacterium Tuberculosis Beta-Ketoacyl-Acyl Carrier Protein Synthase III (FabH) Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase III, CHLORIDE ION Authors: Mussayev, F, Sachedeva, S, Scarsdale, J.N, Reynolds, K.A, Wright, H.T. Deposit date: 2004-07-29 Release date: 2005-05-24 Last modified: 2023-08-23 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Crystal structure of a substrate complex of Mycobacterium tuberculosis beta-ketoacyl-acyl carrier protein synthase III (FabH) with lauroyl-coenzyme A. J.Mol.Biol., 346, 2005
1KAS	BETA-KETOACYL-ACP SYNTHASE II FROM ESCHERICHIA COLI Descriptor: BETA-KETOACYL ACP SYNTHASE II Authors: Huang, W, Jia, J, Edwards, P, Dehesh, K, Schneider, G, Lindqvist, Y. Deposit date: 1997-12-22 Release date: 1999-03-02 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Crystal structure of beta-ketoacyl-acyl carrier protein synthase II from E.coli reveals the molecular architecture of condensing enzymes. EMBO J., 17, 1998
4JAT	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11, PALMITIC ACID Authors: Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2013-02-19 Release date: 2013-04-24 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.42 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
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
4JD3	Crystal Structure of Mycobacterium tuberculosis PKS11 Reveals Intermediates in the Synthesis of Methyl-branched Alkylpyrones Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11, COENZYME A, PALMITIC ACID Authors: Gokulan, K, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2013-02-22 Release date: 2013-04-24 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.25 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
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
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
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
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
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
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
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
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
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
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
5IKQ	The Structure of Meclofenamic Acid Bound to Human Cyclooxygenase-2 Descriptor: 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACRYLIC ACID, ... 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 (2.41 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
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

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