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6QFB
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BU of 6qfb by Molmil
Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-citrate synthase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2019-01-09
Release date:2019-04-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
4C6Z
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BU of 4c6z by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM3
Descriptor: (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, ...
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
4B7V
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BU of 4b7v by Molmil
Structure of wild type Pseudomonas aeruginosa FabF (KASII)
Descriptor: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION
Authors:Lecker, L, Baum, B, Zoltner, M, Hunter, W.N.
Deposit date:2012-08-22
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form
Acta Crystallogr.,Sect.F, 71, 2015
5KP2
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BU of 5kp2 by Molmil
Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae cocrystallized with octanoyl-CoA: hydrolzed ligand
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 3 protein 2, COENZYME A, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Hou, J, Zheng, H, Grabowski, M, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-07-01
Release date:2016-07-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: hydrolzed ligand
To Be Published
2X2B
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BU of 2x2b by Molmil
Crystal structure of malonyl-ACP (acyl carrier protein) from Bacillus subtilis
Descriptor: 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid, ACYL CARRIER PROTEIN, PLATINUM (II) ION
Authors:Bellinzoni, M, Martinez, M.A, DeMendoza, D, Alzari, P.M.
Deposit date:2010-01-12
Release date:2010-03-16
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:A Novel Role of Malonyl-Acp in Lipid Homeostasis.
Biochemistry, 49, 2010
7CB3
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BU of 7cb3 by Molmil
Crystal structure of type III polyketide synthase from Mycobacterium marinum
Descriptor: ACETATE ION, Chalcone/stilbene synthase, MYRISTIC ACID, ...
Authors:Pratap, S, Kant, A, Saxena, P, Krishnan, V.
Deposit date:2020-06-10
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Crystal structure of type III polyketide synthase from Mycobacterium marinum.
To Be Published
4C72
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BU of 4c72 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM5
Descriptor: (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, ...
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 (1.5 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
2KTD
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BU of 2ktd by Molmil
Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog (U-46619) complex
Descriptor: (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid, Prostaglandin-H2 D-isomerase
Authors:Shimamoto, S, Maruo, H, Yoshida, T, Kato, N, Ohkubo, T.
Deposit date:2010-01-27
Release date:2011-02-02
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution Structure of Lipocalin-type Prostaglandin D synthase / Substrate analog complex reveals Open-Closed Conformational Change required for Substrate Recognition
To be Published
4JAR
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BU of 4jar by Molmil
Crystal structure of mycobacterium tuberculosis pks11 in complex with polyketide intermediates and evidence that it synthesize ALKYLPYRONES
Descriptor: Alpha-pyrone synthesis polyketide synthase-like Pks11
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 (1.98 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
3OYT
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BU of 3oyt by Molmil
1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase I, DI(HYDROXYETHYL)ETHER, ...
Authors:Halavaty, A.S, Wawrzak, Z, Onopriyenko, O, Peterson, S, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-09-23
Release date:2011-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92
To be Published
2WYA
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BU of 2wya by Molmil
CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2)
Descriptor: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, GLYCEROL, HYDROXYMETHYLGLUTARYL-COA SYNTHASE, ...
Authors:Yue, W.W, Shafqat, N, Savitsky, P, Roos, A.K, Cooper, C, Murray, J.W, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U.
Deposit date:2009-11-13
Release date:2009-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Human Hmg-Coa Synthase Isoforms Provide Insights Into Inherited Ketogenesis Disorders and Inhibitor Design.
J.Mol.Biol., 398, 2010
4JB6
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BU of 4jb6 by Molmil
Structure of Pseudomonas aeruginosa FabF mutant C164Q
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, POTASSIUM ION
Authors:Baum, B, Lecker, L.
Deposit date:2013-02-19
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Pseudomonas aeruginosa beta-ketoacyl-(acyl-carrier-protein) synthase II (FabF) and a C164Q mutant provide templates for antibacterial drug discovery and identify a buried potassium ion and a ligand-binding site that is an artefact of the crystal form.
Acta Crystallogr F Struct Biol Commun, 71, 2015
6DGN
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BU of 6dgn by Molmil
Cronobacter turicensis BDSF synthase RpfF in complex with the RpfR quorum-sensing receptor FI domain
Descriptor: GLYCEROL, PHOSPHATE ION, RpfF, ...
Authors:Waldron, E.J, Neiditch, M.B.
Deposit date:2018-05-17
Release date:2019-01-02
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural basis of DSF recognition by its receptor RpfR and its regulatory interaction with the DSF synthase RpfF.
PLoS Biol., 17, 2019
7R49
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BU of 7r49 by Molmil
Crystal structure of the L. plantarum acyl carrier protein synthase (AcpS)in complex with D-alanyl carrier protein (DltC1)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4'-PHOSPHOPANTETHEINE, D-alanyl carrier protein 1, ...
Authors:Nikolopoulos, N, Ravaud, S, Simorre, J.P, Grangeasse, C.
Deposit date:2022-02-08
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:DltC acts as an interaction hub for AcpS, DltA and DltB in the teichoic acid D-alanylation pathway of Lactiplantibacillus plantarum.
Sci Rep, 12, 2022
2KGD
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BU of 2kgd by Molmil
NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(3-oxobutyl)sulfanyl]ethyl}-beta-alaninamide
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
2KGE
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BU of 2kge by Molmil
NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor
Descriptor: Actinorhodin polyketide synthase acyl carrier protein, N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
Authors:Crump, M.P, Evans, S.E, Williams, C.
Deposit date:2009-03-08
Release date:2009-04-14
Last modified:2021-10-20
Method:SOLUTION NMR
Cite:Probing the Interactions of Early Polyketide Intermediates with the Actinorhodin ACP from S. coelicolor A3(2).
J.Mol.Biol., 389, 2009
4C6U
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BU of 4c6u by Molmil
Crystal structure of M. tuberculosis KasA in complex with TLM5
Descriptor: (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, ...
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 (2.4 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
4C70
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BU of 4c70 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4
Descriptor: (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, ...
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 (1.75 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
5I0K
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BU of 5i0k by Molmil
Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases
Descriptor: CROTONYL COENZYME A, Phthiocerol synthesis polyketide synthase type I PpsC
Authors:Faille, A, Mourey, L, Pedelacq, J.D.
Deposit date:2016-02-04
Release date:2017-08-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.197 Å)
Cite:Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases.
J. Mol. Biol., 429, 2017
4C6V
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BU of 4c6v by Molmil
Crystal structure of M. tuberculosis KasA in complex with TLM5 (Soak for 5 min)
Descriptor: (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, ...
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 (2.7 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
4C73
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BU of 4c73 by Molmil
Crystal structure of M. tuberculosis C171Q KasA in complex with TLM6
Descriptor: (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, ...
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
3QH0
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BU of 3qh0 by Molmil
X-ray crystal structure of palmitic acid bound to the cyclooxygenase channel of cyclooxygenase-2
Descriptor: 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, ...
Authors:Vecchio, A.J, Malkowski, M.G.
Deposit date:2011-01-25
Release date:2011-04-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Human cyclooxygenase-2 is a sequence homodimer that functions as a conformational heterodimer.
J.Biol.Chem., 286, 2011
8GHD
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BU of 8ghd by Molmil
The structure of h12-LOX in hexameric form bound to inhibitor ML355 and arachidonic acid
Descriptor: ARACHIDONIC ACID, FE (II) ION, N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide, ...
Authors:Black, K.A, Mobbs, J.I, Venugopal, H, Thal, D.M, Glukhova, A.
Deposit date:2023-03-09
Release date:2023-08-09
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Cryo-EM structures of human arachidonate 12S-lipoxygenase bound to endogenous and exogenous inhibitors.
Blood, 142, 2023
7WVZ
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BU of 7wvz by Molmil
CalA3_modular PKS_KS-AT-DH-KR
Descriptor: Beta-ketoacyl-acyl-carrier-protein synthase I
Authors:Wang, J, Wang, Z.
Deposit date:2022-02-12
Release date:2023-02-22
Last modified:2023-10-11
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:C-N bond formation by a polyketide synthase.
Nat Commun, 14, 2023
8EE1
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BU of 8ee1 by Molmil
KS-AT didomain from module 2 of the 6-deoxyerythronolide B synthase in complex with antibody fragment AA5
Descriptor: 6-deoxyerythronolide B synthase, AA5 antibody heavy chain, AA5 antibody light chain
Authors:Cogan, D.P, Brodsky, K.L, Guzman, K.M, Mathews, I.I, Khosla, C.
Deposit date:2022-09-06
Release date:2023-05-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery and Characterization of Antibody Probes of Module 2 of the 6-Deoxyerythronolide B Synthase.
Biochemistry, 62, 2023

221051

數據於2024-06-12公開中

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