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6ET2
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BU of 6et2 by Molmil
Crystal structure of PqsBC (C129A) mutant from Pseudomonas aeruginosa (crystal form 3)
Descriptor: 3[N-MORPHOLINO]PROPANE SULFONIC ACID, PqsB, PqsC
Authors:Witzgall, F, Blankenfeldt, W.
Deposit date:2017-10-25
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC.
Chembiochem, 19, 2018
1E51
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BU of 1e51 by Molmil
Crystal structure of native human erythrocyte 5-aminolaevulinic acid dehydratase
Descriptor: 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, SULFATE ION, ...
Authors:Mills-Davies, N.L, Thompson, D, Cooper, J.B, Shoolingin-Jordan, P.M.
Deposit date:2000-07-13
Release date:2001-07-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:The Crystal Structure of Human Ala-Dehydratase
To be Published
1KLP
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BU of 1klp by Molmil
The Solution Structure of Acyl Carrier Protein from Mycobacterium tuberculosis
Descriptor: MEROMYCOLATE EXTENSION ACYL CARRIER PROTEIN
Authors:Wong, H.C, Liu, G, Zhang, Y.-M, Rock, C.O, Zheng, J.
Deposit date:2001-12-12
Release date:2002-06-07
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The solution structure of acyl carrier protein from Mycobacterium tuberculosis.
J.Biol.Chem., 277, 2002
7EQI
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BU of 7eqi by Molmil
ChlB3 [Aceyltransferase]
Descriptor: ChlB3
Authors:Saeed, A.U, Zheng, J.
Deposit date:2021-05-02
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Insight of KSIII ( beta-Ketoacyl-ACP Synthase)-like Acyltransferase ChlB3 in the Biosynthesis of Chlorothricin.
Molecules, 27, 2022
3PXP
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BU of 3pxp by Molmil
Crystal structure of a PAS and DNA binding domain containing protein (Caur_2278) from CHLOROFLEXUS AURANTIACUS J-10-FL at 2.30 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Helix-turn-helix domain protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-12-10
Release date:2011-01-19
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of an MmyB-Like Regulator from C. aurantiacus, Member of a New Transcription Factor Family Linked to Antibiotic Metabolism in Actinomycetes.
Plos One, 7, 2012
3NJ8
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BU of 3nj8 by Molmil
Crystal structure of T. gondii enoyl acyl carrier protein reductase with bound triclosan like inhibitor
Descriptor: 3-chloro-4-(2-hydroxy-4-propylphenoxy)benzonitrile, Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Muench, S.P, Ruzheinikov, S.N, Rice, D.W.
Deposit date:2010-06-17
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase.
J.Med.Chem., 53, 2010
6N97
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BU of 6n97 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-amino(dethia)-CoA
Descriptor: (2R)-sulfonatepropionyl-amino(dethia)-CoA, (2S)-sulfonatepropionyl-amino(dethia)-CoA, IMIDAZOLE, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
3CSI
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BU of 3csi by Molmil
Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3CSH
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BU of 3csh by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
3CSJ
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BU of 3csj by Molmil
Human glutathione s-transferase p1-1 in complex with chlorambucil
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORAMBUCIL, CHLORIDE ION, ...
Authors:Parker, L.J.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The anti-cancer drug chlorambucil as a substrate for the human polymorphic enzyme glutathione transferase P1-1: kinetic properties and crystallographic characterisation of allelic variants.
J.Mol.Biol., 380, 2008
4GSS
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BU of 4gss by Molmil
HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Oakley, A, Rossjohn, J, Parker, M.
Deposit date:1997-01-20
Release date:1998-01-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme.
Biochemistry, 36, 1997
1LBK
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BU of 1lbk by Molmil
Crystal structure of a recombinant glutathione transferase, created by replacing the last seven residues of each subunit of the human class pi isoenzyme with the additional C-terminal helix of human class alpha isoenzyme
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, Glutathione S-transferase class pi chimaera (CODA), ...
Authors:Kong, G.K.W, Micaloni, C, Mazzetti, A.P, Nuccetelli, M, Antonini, G, Stella, L, McKinstry, W.J, Polekhina, G, Rossjohn, J, Federici, G, Ricci, G, Parker, M.W, Lo Bello, M.
Deposit date:2002-04-04
Release date:2002-04-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Engineering a new C-terminal tail in the H-site of human glutathione transferase P1-1: structural and functional consequences.
J.Mol.Biol., 325, 2003
1PGT
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BU of 1pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Ji, X.
Deposit date:1997-02-17
Release date:1997-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
6N95
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BU of 6n95 by Molmil
Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-CoA
Descriptor: (2R)-sulfonatepropionyl-CoA, (2S)-sulfonatepropionyl-CoA, DI(HYDROXYETHYL)ETHER, ...
Authors:Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R.
Deposit date:2018-11-30
Release date:2019-04-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
2PGT
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BU of 2pgt by Molmil
CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
Descriptor: (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, ...
Authors:Ji, X.
Deposit date:1997-02-17
Release date:1997-09-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
3HKR
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BU of 3hkr by Molmil
Crystal Structure of Glutathione Transferase Pi Y108V Mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2009-05-25
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Influence of the H-site residue 108 on human glutathione transferase P1-1 ligand binding: structure-thermodynamic relationships and thermal stability.
Protein Sci., 18, 2009
3HJM
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BU of 3hjm by Molmil
Crystal structure of human Glutathione Transferase Pi Y108V mutant
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CARBONATE ION, ...
Authors:Parker, L.J.
Deposit date:2009-05-22
Release date:2009-09-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Influence of the H-site residue 108 on human glutathione transferase P1-1 ligand binding: structure-thermodynamic relationships and thermal stability.
Protein Sci., 18, 2009
1NM2
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BU of 1nm2 by Molmil
Malonyl-CoA:ACP Transacylase
Descriptor: ACETIC ACID, NICKEL (II) ION, malonyl CoA:acyl carrier protein malonyltransferase
Authors:Keatinge-Clay, A.T, Shelat, A.A, Savage, D.F, Tsai, S, Miercke, L.J.W, O'Connell III, J.D, Khosla, C, Stroud, R.M.
Deposit date:2003-01-08
Release date:2003-01-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Catalysis, Specificity, and ACP Docking Site of Streptomyces coelicolor Malonyl-CoA:ACP Transacylase
Structure, 11, 2003
2BDD
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BU of 2bdd by Molmil
Crystal Structure of Holo-ACP-synthase from Plasmodium yoelii
Descriptor: ACP-synthase
Authors:Dong, A, Melone, M, Zhao, Y, Lew, J, Koeieradzki, I, Alam, Z, Wasney, G, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2005-10-20
Release date:2005-11-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
6POF
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BU of 6pof by Molmil
Structure of human ATP citrate lyase
Descriptor: ATP-citrate synthase
Authors:Wei, X, Marmorstein, R.
Deposit date:2019-07-03
Release date:2020-01-01
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Molecular basis for acetyl-CoA production by ATP-citrate lyase.
Nat.Struct.Mol.Biol., 27, 2020
5OVL
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BU of 5ovl by Molmil
crystal structure of MabA bound to NADP+ from M. smegmatis
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
Deposit date:2017-08-29
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
6G2H
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BU of 6g2h by Molmil
Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) core at 4.6 A resolution
Descriptor: Acetyl-CoA carboxylase 1
Authors:Hunkeler, M, Hagmann, A, Stuttfeld, E, Chami, M, Stahlberg, H, Maier, T.
Deposit date:2018-03-23
Release date:2018-06-13
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis for regulation of human acetyl-CoA carboxylase.
Nature, 558, 2018
6P9L
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BU of 6p9l by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with JFX
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide, GLYCEROL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6P9K
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BU of 6p9k by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6G
Descriptor: 3-oxoacyl-ACP synthase, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.703 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
4DFE
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BU of 4dfe by Molmil
Crystal structure of 3-oxoacyl-[acyl-carrier-protein] synthase III from Burkholderia xenovorans
Descriptor: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 3
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-01-23
Release date:2012-02-08
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013

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