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7K0A
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BU of 7k0a by Molmil
Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA
Descriptor: 1,2-ETHANEDIOL, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Peat, T.S, Caputo, A.T, Newman, J, Adams, T.E.
Deposit date:2020-09-03
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Sci Rep, 11, 2021
1AXW
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BU of 1axw by Molmil
E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH METHOTREXATE (MTX) AND 2'-DEOXYURIDINE 5'-MONOPHOSPHATE (DUMP)
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, METHOTREXATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-10-23
Release date:1998-10-28
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of Thymidylate Synthase Inhibitors Using Flexible Docking and an Empirically Tuned Scoring Function
To be Published
2HJ6
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BU of 2hj6 by Molmil
Reaction centre from Rhodobacter sphaeroides strain R-26.1 complexed with dibrominated phosphatidylserine
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ...
Authors:Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J.
Deposit date:2006-06-30
Release date:2007-03-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Brominated Lipids Identify Lipid Binding Sites on the Surface of the Reaction Center from Rhodobacter sphaeroides.
Biochemistry, 46, 2007
2HUZ
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BU of 2huz by Molmil
Crystal structure of GNPNAT1
Descriptor: Glucosamine 6-phosphate N-acetyltransferase
Authors:Min, J, Wu, H, Zeng, H, Loppnau, P, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-07-27
Release date:2006-08-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of glucosamine-phosphate N-acetyltransferase 1
To be Published
6T7N
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BU of 6t7n by Molmil
Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl diphosphate synthase, MANGANESE (II) ION
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-10-22
Release date:2020-11-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Trypanosoma cruzi farnesyl diphosphate synthase in complex with IPP and Mn
To Be Published
2I5N
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BU of 2i5n by Molmil
1.96 A X-ray structure of photosynthetic reaction center from Rhodopseudomonas viridis:Crystals grown by microfluidic technique
Descriptor: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
Authors:Li, L, Mustafi, D, Fu, Q, Tereshko, V, Chen, D.L, Tice, J.D, Ismagilov, R.F.
Deposit date:2006-08-25
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nanoliter microfluidic hybrid method for simultaneous screening and optimization validated with crystallization of membrane proteins.
Proc.Natl.Acad.Sci.Usa, 103, 2006
5B5E
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BU of 5b5e by Molmil
Crystal structure analysis of Photosystem II complex
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Tanaka, A, Fukushima, Y, Kamiya, N.
Deposit date:2016-05-02
Release date:2017-02-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Two Different Structures of the Oxygen-Evolving Complex in the Same Polypeptide Frameworks of Photosystem II
J. Am. Chem. Soc., 139, 2017
1AIQ
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BU of 1aiq by Molmil
CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE R126E MUTANT
Descriptor: 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Strop, P, Montfort, W.R.
Deposit date:1997-04-23
Release date:1997-11-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a marginally active thymidylate synthase mutant, Arg 126-->Glu.
Protein Sci., 6, 1997
1AIG
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BU of 1aig by Molmil
PHOTOSYNTHETIC REACTION CENTER FROM RHODOBACTER SPHAEROIDES IN THE D+QB-CHARGE SEPARATED STATE
Descriptor: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, FE (II) ION, ...
Authors:Stowell, M.H.B, Mcphillips, T.M, Soltis, S.M, Rees, D.C, Abresch, E, Feher, G.
Deposit date:1997-04-17
Release date:1997-10-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Light-induced structural changes in photosynthetic reaction center: implications for mechanism of electron-proton transfer.
Science, 276, 1997
5EBV
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BU of 5ebv by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor 11c and CoA
Descriptor: 5-(4-chlorophenyl)-~{N}-[3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)propyl]-4-methyl-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine, CHLORIDE ION, COENZYME A, ...
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2015-10-19
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium tuberculosis.
Acs Chem.Biol., 11, 2016
5EC4
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BU of 5ec4 by Molmil
Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor 13g and CoA
Descriptor: 5-(3-chlorophenyl)-4-methyl-~{N}-(3-morpholin-4-ylpropyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-amine, COENZYME A, Enhanced intracellular survival protein
Authors:Gajadeera, C.S, Hou, C, Garneau-Tsodikova, S, Tsodikov, O.V.
Deposit date:2015-10-20
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Potent Inhibitors of Acetyltransferase Eis Overcome Kanamycin Resistance in Mycobacterium tuberculosis.
Acs Chem.Biol., 11, 2016
1BID
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BU of 1bid by Molmil
E. COLI THYMIDYLATE SYNTHASE COMPLEXED WITH DUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE
Authors:Stout, T.J, Sage, C.R, Stroud, R.M.
Deposit date:1997-06-27
Release date:1998-07-01
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The additivity of substrate fragments in enzyme-ligand binding.
Structure, 6, 1998
1BI5
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BU of 1bi5 by Molmil
CHALCONE SYNTHASE FROM ALFALFA
Descriptor: CHALCONE SYNTHASE
Authors:Ferrer, J.L, Jez, J.M, Bowman, M.E, Dixon, R.A, Noel, J.P.
Deposit date:1998-06-22
Release date:1999-06-22
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structure of chalcone synthase and the molecular basis of plant polyketide biosynthesis.
Nat.Struct.Biol., 6, 1999
1BG0
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BU of 1bg0 by Molmil
TRANSITION STATE STRUCTURE OF ARGININE KINASE
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ARGININE KINASE, D-ARGININE, ...
Authors:Zhou, G, Somasundaram, T, Blanc, E, Parthasarathy, G, Ellington, W.R, Chapman, M.S.
Deposit date:1998-06-03
Release date:1998-10-14
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Proc.Natl.Acad.Sci.USA, 95, 1998
7JXF
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BU of 7jxf by Molmil
E. coli TSase complex with a bi-substrate reaction intermediate diastereomer analog
Descriptor: (2S)-2-({4-[({(6S)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), 5-HYDROXYMETHYLURIDINE-2'-DEOXY-5'-MONOPHOSPHATE, N-[4-({[(6S)-2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methyl}amino)benzene-1-carbonyl]-L-glutamic acid, ...
Authors:Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A, Moliner, V, Swiderek, K.
Deposit date:2020-08-27
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
7JX1
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BU of 7jx1 by Molmil
E. coli TSase complex with a bi-substrate reaction intermediate analog
Descriptor: (2S)-2-({4-[({(6R)-2,4-diamino-5-[(1-{(2R,4S,5R)-4-hydroxy-5-[(phosphonooxy)methyl]tetrahydrofuran-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl}methyl)amino]benzoyl}amino)pentanedioic acid (non-preferred name), N-(4-{[(2,4-diamino-7,8-dihydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino}benzene-1-carbonyl)-L-glutamic acid, PHOSPHATE ION, ...
Authors:Finer-Moore, J, Kholodar, S.A, Stroud, R.M, Kohen, A.
Deposit date:2020-08-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Caught in Action: X-ray Structure of Thymidylate Synthase with Noncovalent Intermediate Analog.
Biochemistry, 60, 2021
7JZS
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BU of 7jzs by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with CoA
Descriptor: Aminoglycoside 2'-N-acetyltransferase, COENZYME A, DI(HYDROXYETHYL)ETHER, ...
Authors:Park, J, Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-09-02
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural and phylogenetic analyses of resistance to next-generation aminoglycosides conferred by AAC(2') enzymes.
Sci Rep, 11, 2021
2JG5
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BU of 2jg5 by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOFRUCTOKINASE FROM STAPHYLOCOCCUS AUREUS
Descriptor: FRUCTOSE 1-PHOSPHATE KINASE
Authors:Yan, X, Carter, L.G, Johnson, K.A, Liu, H, Dorward, M, McMahon, S.A, Oke, M, Powers, H, Coote, P.J, Naismith, J.H.
Deposit date:2007-02-08
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
7KD7
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BU of 7kd7 by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMINO GROUP, CARBOXYMETHYL COENZYME *A, ...
Authors:Deng, S, Marmorstein, R.
Deposit date:2020-10-08
Release date:2021-06-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
7KB0
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BU of 7kb0 by Molmil
O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima with pyridoxal-5-phosphate (PLP) bound in the internal aldimine state
Descriptor: O-acetyl-L-homoserine sulfhydrylase
Authors:Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M.
Deposit date:2020-10-01
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
7KB1
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BU of 7kb1 by Molmil
Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate
Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid, MAGNESIUM ION, O-acetyl-L-homoserine sulfhydrylase, ...
Authors:Brewster, J.L, Pachl, P, Squire, C, Selmer, M, Patrick, W.M.
Deposit date:2020-10-01
Release date:2021-06-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structures and kinetics of Thermotoga maritima MetY reveal new insights into the predominant sulfurylation enzyme of bacterial methionine biosynthesis.
J.Biol.Chem., 296, 2021
5BYV
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BU of 5byv by Molmil
Crystal structure of MSM-13, a putative T1-like thiolase from Mycobacterium smegmatis
Descriptor: Beta-ketothiolase
Authors:Janardan, N, Harijan, R.K, Keima, T.R, Wierenga, R, Murthy, M.R.N.
Deposit date:2015-06-11
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.162 Å)
Cite:Structural characterization of a mitochondrial 3-ketoacyl-CoA (T1)-like thiolase from Mycobacterium smegmatis
Acta Crystallogr.,Sect.D, 71, 2015
5C82
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BU of 5c82 by Molmil
Crystal structure of Nourseothricin acetyltransferase
Descriptor: D(-)-TARTARIC ACID, Nourseothricin acetyltransferase
Authors:Kumar, D, Ghosh, A, Taneja, B, Chakraborty, K.
Deposit date:2015-06-25
Release date:2016-06-29
Last modified:2018-07-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Nourseothricin acetyltransferase
To Be Published
5C93
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BU of 5c93 by Molmil
Histidine kinase with ATP
Descriptor: Histidine kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, SULFATE ION
Authors:Cai, Y.
Deposit date:2015-06-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017
7JLR
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BU of 7jlr by Molmil
Crystal structure of Bacillus subtilis UppS in complex with JPD447
Descriptor: 7-(azepan-1-yl)-5-ethyl-3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine, Isoprenyl transferase
Authors:Workman, S.D, Strynadka, N.C.J.
Deposit date:2020-07-30
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Inhibition of Undecaprenyl Pyrophosphate Synthase from Gram-Positive Bacteria.
J.Med.Chem., 64, 2021

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