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6Q0Y
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BU of 6q0y by Molmil
Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
Descriptor: 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
Authors:Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
Deposit date:2019-08-02
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
To Be Published
4JXR
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BU of 4jxr by Molmil
Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti in complex with AcCoA
Descriptor: ACETYL COENZYME *A, Acetyltransferase, CITRATE ANION, ...
Authors:Majorek, K.A, Cooper, D.R, Porebski, P.J, Konina, K, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-03-28
Release date:2013-05-15
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti in complex with AcCoA
To be Published
4J8L
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BU of 4j8l by Molmil
CRYSTAL STRUCTURE OF THE PYRIDOXAL-5'-PHOSPHATE DEPENDENT protein YhfS from Escherichia coli
Descriptor: ACETIC ACID, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ...
Authors:Fedorov, A.A, Fedorov, E.V, Xiang, D.F, Raushel, F.M, Almo, S.C.
Deposit date:2013-02-14
Release date:2014-03-05
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Crystal structure of the pyridoxal-5'-phosphate dependent protein yhfs from escherichia coli
To be Published
5T2Y
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BU of 5t2y by Molmil
Crystal Structure of C. jejuni PglD in complex with 5-methyl-4-(methylamino)-2-phenethylthieno[2,3-d]pyrimidine-6-carboxylic acid
Descriptor: 5-methyl-4-(methylamino)-2-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:De Schutter, J.W, Imperiali, B.
Deposit date:2016-08-24
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Targeting Bacillosamine Biosynthesis in Bacterial Pathogens: Development of Inhibitors to a Bacterial Amino-Sugar Acetyltransferase from Campylobacter jejuni.
J. Med. Chem., 60, 2017
4JAP
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BU of 4jap by Molmil
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
3BHR
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BU of 3bhr by Molmil
E. coli TS complexed with 5-NO2dUMP and tetrahydrofolate at 1.9 A resolution (space group 152)
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, PHOSPHATE ION, ...
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-28
Release date:2008-12-02
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies of Early Events in Catalysis by Thymidylate Synthase
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
5XNC
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BU of 5xnc by Molmil
Crystal structure of the branched-chain polyamine synthase (BpsA) in complex with N4-aminopropylspermidine and 5-methylthioadenosine
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, DI(HYDROXYETHYL)ETHER, ...
Authors:Mizohata, E, Tse, K.M, Fujita, J, Inoue, T.
Deposit date:2017-05-22
Release date:2018-08-15
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
FEBS J., 284, 2017
4JD1
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BU of 4jd1 by Molmil
Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
Descriptor: FOSFOMYCIN, Metallothiol transferase FosB 2, TRIETHYLENE GLYCOL, ...
Authors:Maltseva, N, Kim, Y, Jedrzejczak, R, Sharma, S.V, Hamilton, C.J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-02-22
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Metallothiol Transferase FosB 2 from Bacillus anthracis str. Ames
To be Published
3BF5
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BU of 3bf5 by Molmil
Crystal structure of putative ribokinase (10640157) from Thermoplasma acidophilum at 1.91 A resolution
Descriptor: PHOSPHATE ION, Ribokinase related protein, S-1,2-PROPANEDIOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-11-20
Release date:2007-12-04
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Crystal structure of putative ribokinase (10640157) from Thermoplasma acidophilum at 1.91 A resolution
To be published
3BFI
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BU of 3bfi by Molmil
E. Coli Thymidylate Synthase Y209M mutant complexed with 5-nitro-dUMP
Descriptor: 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, SULFATE ION, Thymidylate synthase
Authors:Roberts, S.A, Montfort, W.R.
Deposit date:2007-11-21
Release date:2008-12-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:E.Coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
To be Published
5XK7
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BU of 5xk7 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
4JH2
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BU of 4jh2 by Molmil
Crystal Structure of FosB from Bacillus cereus with Zinc and Sulfate at 1.27 A Resolution
Descriptor: FORMIC ACID, MAGNESIUM ION, Metallothiol transferase FosB, ...
Authors:Thompson, M.K, Harp, J, Keithly, M.E, Jagessar, K, Cook, P.D, Armstrong, R.N.
Deposit date:2013-03-04
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred by FosB from Bacillus cereus.
Biochemistry, 52, 2013
6BNE
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BU of 6bne by Molmil
Crystal structure of the intrinsic colistin resistance enzyme ICR(Mc) from Moraxella catarrhalis, catalytic domain, phosphate-bound complex
Descriptor: ACETATE ION, GLYCEROL, PHOSPHATE ION, ...
Authors:Stogios, P.J, Evdokimova, E, Wawrzak, Z, Di Leo, R, Savchenko, A, Anderson, W.F, Satchell, K.J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-11-16
Release date:2018-01-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Substrate recognition by a colistin resistance enzyme from Moraxella catarrhalis.
ACS Chem. Biol., 2018
4NAE
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BU of 4nae by Molmil
PcrB from Geobacillus kaustophilus, with bound G1P
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Heptaprenylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE
Authors:Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P.
Deposit date:2013-10-22
Release date:2014-06-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization.
Mol.Microbiol., 92, 2014
1TED
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BU of 1ted by Molmil
Crystal structure of a type III polyketide synthase PKS18 from Mycobacterium tuberculosis
Descriptor: MYRISTIC ACID, pks18
Authors:Sankaranarayanan, R, Shanmugam, V.M, Rukmini, R.
Deposit date:2004-05-25
Release date:2004-08-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A novel tunnel in mycobacterial type III polyketide synthase reveals the structural basis for generating diverse metabolites
Nat.Struct.Mol.Biol., 11, 2004
5Z6N
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BU of 5z6n by Molmil
Crystal structure of Escherichia coli ElaA
Descriptor: Protein ElaA
Authors:Shi, L.L, Gao, Z.Q, Zhang, H, Dong, Y.H.
Deposit date:2018-01-23
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Escherichia coli ElaA
To Be Published
1I5A
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BU of 1i5a by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPCP AND MANGANESE
Descriptor: CHEMOTAXIS PROTEIN CHEA, MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
Deposit date:2001-02-26
Release date:2001-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
1THQ
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BU of 1thq by Molmil
Crystal Structure of Outer Membrane Enzyme PagP
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CrcA protein, ...
Authors:Ahn, V.E, Lo, E.I, Engel, C.K, Chen, L, Hwang, P.M, Kay, L.E, Bishop, R.E, Prive, G.G.
Deposit date:2004-06-01
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A hydrocarbon ruler measures palmitate in the enzymatic acylation of endotoxin.
Embo J., 23, 2004
6C37
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BU of 6c37 by Molmil
Mycobacterium smegmatis RimJ in complex with CoA-disulfide
Descriptor: Acetyltransferase, GNAT family protein, [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Favrot, L, Hegde, S.S, Blanchard, J.S.
Deposit date:2018-01-09
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.696 Å)
Cite:Structural Characterization of Mycobacterium smegmatis RimJ, an N-acetyltransferase protein
To Be Published
6BJK
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BU of 6bjk by Molmil
Human ABO(H) blood group glycosyltransferase GTB D302C mutant
Descriptor: ABO blood group (Transferase A, alpha 1-3-N-acetylgalactosaminyltransferase transferase B, alpha 1-3-galactosyltransferase), ...
Authors:Gagnon, S.M.L, Legg, M.S.G, Evans, S.V.
Deposit date:2017-11-06
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Conserved residues Arg188 and Asp302 are critical for active site organization and catalysis in human ABO(H) blood group A and B glycosyltransferases.
Glycobiology, 28, 2018
1I5D
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BU of 1i5d by Molmil
STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH TNP-ATP
Descriptor: CHEMOTAXIS PROTEIN CHEA, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, SULFATE ION
Authors:Bilwes, A.M, Quezada, C.M, Croal, L.R, Crane, B.R, Simon, M.I.
Deposit date:2001-02-26
Release date:2001-08-26
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nucleotide binding by the histidine kinase CheA.
Nat.Struct.Biol., 8, 2001
6BLK
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BU of 6blk by Molmil
Mycobacterial sensor histidine kinase MprB
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Signal transduction histidine-protein kinase/phosphatase mprB
Authors:Li, J, Korotkova, N, Korotkov, K.V.
Deposit date:2017-11-10
Release date:2017-11-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.552 Å)
Cite:Mycobacterial sensor histidine kinase MprB
to be published
4N9U
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BU of 4n9u by Molmil
The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
Descriptor: 1,2-ETHANEDIOL, 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, ...
Authors:Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Pilka, E, Kwaasi, A.A, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, Oppermann, U, Russell, R.G.G, Dunford, J.E.
Deposit date:2013-10-21
Release date:2014-10-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
TO BE PUBLISHED
4GW0
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BU of 4gw0 by Molmil
Crystal structure of arginine kinase in complex with imino-L-ornithine, MgADP, and nitrate.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Arginine kinase, MAGNESIUM ION, ...
Authors:Clark, S.A, Davulcu, O, Chapman, M.S.
Deposit date:2012-08-31
Release date:2012-10-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Crystal structures of arginine kinase in complex with ADP, nitrate, and various phosphagen analogs.
Biochem.Biophys.Res.Commun., 427, 2012

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