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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
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
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
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
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
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
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
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
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
3DBM	Crystal Structure of Allene oxide synthase Descriptor: (9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid, Cytochrome P450 74A2, PROTOPORPHYRIN IX CONTAINING FE Authors: Li, L, Wang, X. Deposit date: 2008-06-01 Release date: 2008-09-23 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Modes of heme binding and substrate access for cytochrome P450 CYP74A revealed by crystal structures of allene oxide synthase. Proc.Natl.Acad.Sci.Usa, 105, 2008
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
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
4RUT	crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid Descriptor: (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic 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: Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J. Deposit date: 2014-11-21 Release date: 2015-02-11 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.16 Å) Cite: 13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase. J.Biol.Chem., 290, 2015
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
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
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
8AYV	Crystal structure of the Malonyl-ACP Decarboxylase MadB from Pseudomonas putida Descriptor: YiiD_C domain-containing protein Authors: Zahn, M, Kuatsjah, E, Beckham, G.T, McGeehan, J.E. Deposit date: 2022-09-03 Release date: 2023-03-01 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.044 Å) Cite: Initiation of fatty acid biosynthesis in Pseudomonas putida KT2440. Metab Eng, 76, 2023
3SAD	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-mehtylphenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-02 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3SAZ	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(3-bromophenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(3-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-03 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.04 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3SB0	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-chloro-6-fluoro-3-methylphenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-03 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3S9Z	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 4-(2-bromophenyl)-2,4-dioxobutanoic acid inhibitor Descriptor: 4-(2-bromophenyl)-2,4-dioxobutanoic acid, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-02 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.793 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012
3S9I	Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-4-dioxo-4-phenylbutanoic acid inhibitor Descriptor: 2-4-DIOXO-4-PHENYLBUTANOIC ACID, MAGNESIUM ION, Malate synthase G Authors: Krieger, I.V, Sun, Q, Sacchettini, J.C, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB) Deposit date: 2011-06-01 Release date: 2012-11-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structure-guided discovery of phenyl-diketo acids as potent inhibitors of M. tuberculosis malate synthase. Chem.Biol., 19, 2012

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