4Q0D
 
 | | Crystal structure of TS-DHFR from Cryptosporidium hominis in complex with NADPH, FdUMP, methotrexate and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid. | | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, METHOTREXATE, ... | | Authors: | Kumar, V.P, Anderson, K.S. | | Deposit date: | 2014-04-01 | | Release date: | 2014-10-15 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.449 Å) | | Cite: | Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase.
Bioorg.Med.Chem.Lett., 24, 2014
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4Q23
 | | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates | | Descriptor: | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-PHOSPHONIC ACID, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | | Authors: | Tsoumpra, M.K, Muniz, J.R.C, Barnett, B.L, Kwaasi, A.A, Pilka, E.S, Kavanagh, K.L, Evdokimov, A, Walter, R.L, Ebetino, F.H, von Delft, F, Oppermann, U, Russell, R.G.G, Dunford, J.E. | | Deposit date: | 2014-04-05 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The role of threonine 201 and tyrosine 204 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the nitrogen-containing bisphosphonates
To be Published
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3I9S
 | | Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6 | | Descriptor: | CHLORIDE ION, Integron cassette protein, SULFATE ION | | Authors: | Deshpande, C.N, Sureshan, V, Harrop, S.J, Boucher, Y, Xu, X, Cui, H, Edwards, A, Savchenko, A, Joachimiak, A, Chang, C, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-07-13 | | Release date: | 2009-08-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure from the mobile metagenome of V.cholerae. Integron cassette protein VCH_CASS6
To be Published
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5KCY
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6ADD
 | | The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with CoA and NLQ | | Descriptor: | Amino-acid acetyltransferase, COENZYME A, N~2~-ACETYL-L-GLUTAMINE | | Authors: | Das, U, Singh, E, Pal, R.K, Tiruttani Subhramanyam, U.K, Gourinath, S, Srinivasan, A. | | Deposit date: | 2018-07-31 | | Release date: | 2018-12-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural insights into the substrate binding mechanism of novel ArgA from Mycobacterium tuberculosis
Int. J. Biol. Macromol., 125, 2019
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2WX5
 | | Hexa-coordination of a bacteriochlorophyll cofactor in the Rhodobacter sphaeroides reaction centre | | Descriptor: | BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CARDIOLIPIN, ... | | Authors: | Marsh, M, Frolov, D, Crouch, L.I, Fyfe, P.K, Robert, B, van Grondelle, R, Jones, M.R, Hadfield, A.T. | | Deposit date: | 2009-11-02 | | Release date: | 2010-02-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structural and Spectroscopic Consequences of Hexa-Coordination of a Bacteriochlorophyll Cofactor in the Rhodobacter Sphaeroides Reaction Centre
Biochemistry, 49, 2010
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6A2K
 | | Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT1, NADPH, and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-6-ethylpyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Chitnumsub, P, Jaruwat, A, Tarnchampoo, B, Yuthavong, Y. | | Deposit date: | 2018-06-12 | | Release date: | 2019-04-24 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Hybrid Inhibitors of Malarial Dihydrofolate Reductase with Dual Binding Modes That Can Forestall Resistance.
ACS Med Chem Lett, 9, 2018
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2X14
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ... | | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-12-21 | | Release date: | 2010-12-29 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
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7CPM
 | | CRYSTAL STRUCTURE OF DODECAPRENYL DIPHOSPHATE SYNTHASE FROM THERMOBIFIDA FUSCA | | Descriptor: | Trans,polycis-polyprenyl diphosphate synthase ((2Z,6E)-farnesyl diphosphate specific) | | Authors: | Kurokawa, H, Ambo, T, Takahashi, S, Koyama, T. | | Deposit date: | 2020-08-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Thermobifida fusca cis-prenyltransferase reveals the dynamic nature of its RXG motif-mediated inter-subunit interactions critical for its catalytic activity.
Biochem.Biophys.Res.Commun., 532, 2020
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2X0S
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7CPN
 | | CRYSTAL STRUCTURE OF DODECAPRENYL DIPHOSPHATE SYNTHASE FROM THERMOBIFIDA FUSCA | | Descriptor: | GLYCEROL, SULFATE ION, Trans,polycis-polyprenyl diphosphate synthase ((2Z,6E)-farnesyl diphosphate specific) | | Authors: | Kurokawa, H, Ambo, T, Takahasi, S, Koyama, T. | | Deposit date: | 2020-08-07 | | Release date: | 2020-10-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal structure of Thermobifida fusca cis-prenyltransferase reveals the dynamic nature of its RXG motif-mediated inter-subunit interactions critical for its catalytic activity.
Biochem.Biophys.Res.Commun., 532, 2020
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3ICN
 | | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate and 3-Fluoro-1-(2-hydroxy-2,2-bis-phosphono-ethyl)-pyridinium | | Descriptor: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, ... | | Authors: | Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. | | Deposit date: | 2009-07-17 | | Release date: | 2010-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer.
Proteins, 78, 2010
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4C2J
 | | Crystal structure of human mitochondrial 3-ketoacyl-CoA thiolase in complex with CoA | | Descriptor: | 1,2-ETHANEDIOL, 3-KETOACYL-COA THIOLASE, MITOCHONDRIAL, ... | | Authors: | Kiema, T.-R, Harijan, R.K, Wierenga, R.K. | | Deposit date: | 2013-08-19 | | Release date: | 2014-09-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Human Mitochondrial 3-Ketoacyl-Coa Thiolase (T1): Insight Into the Reaction Mechanism of its Thiolase and Thioesterase Activities
Acta Crystallogr.,Sect.D, 70, 2014
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5JR5
 | | RHCC in Complex with Elemental Sulfur | | Descriptor: | SULFATE ION, Tetrabrachion, octathiocane | | Authors: | McDougall, M, Meier, M, Stetefeld, J. | | Deposit date: | 2016-05-05 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Archaea S-layer nanotube from a "black smoker" in complex with cyclo-octasulfur (S8 ) rings.
Proteins, 85, 2017
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6A7W
 | | Structure of a catalytic domain of the colistin resistance enzyme | | Descriptor: | Putative integral membrane protein, ZINC ION | | Authors: | Wang, X.D, Chai, Y, Qi, J.X, Gao, G.F. | | Deposit date: | 2018-07-04 | | Release date: | 2018-11-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.988 Å) | | Cite: | Structural and functional insights into MCR-2 mediated colistin resistance.
Sci China Life Sci, 61, 2018
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6A82
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5JVL
 | | C4-type pyruvate phospate dikinase: nucleotide binding domain with bound ATP analogue | | Descriptor: | 2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid, MAGNESIUM ION, PHOSPHOENOLPYRUVATE, ... | | Authors: | Minges, A, Hoeppner, A, Groth, G. | | Deposit date: | 2016-05-11 | | Release date: | 2017-04-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural intermediates and directionality of the swiveling motion of Pyruvate Phosphate Dikinase.
Sci Rep, 7, 2017
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5GI9
 | | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-Tryptamine | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, COENZYME A, Dopamine N-acetyltransferase, ... | | Authors: | Yang, Y.C, Lin, S.J, Cheng, K.C, Cheng, H.C, Lyu, P.C. | | Deposit date: | 2016-06-22 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase.
Commun Biol, 3, 2020
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3IGR
 | | The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltransferase from Vibrio fischeri to 2.0A | | Descriptor: | GLYCEROL, Ribosomal-protein-S5-alanine N-acetyltransferase, SODIUM ION | | Authors: | Stein, A.J, Sather, A, Shackelford, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-07-28 | | Release date: | 2009-09-01 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Ribosomal-protein-S5-alanine Acetyltransferase from Vibrio fischeri to 2.0A
To be Published
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2WZB
 | | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and magnesium trifluoride | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | | Deposit date: | 2009-11-27 | | Release date: | 2010-04-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 2010
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6AG4
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4PYT
 | | Crystal structure of a MurB family EP-UDP-N-acetylglucosamine reductase | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Cao, H, Franz, L, Sen, S, Bingman, C.A, Auldridge, M, Steinmetz, E, Mead, D, Phillips Jr, G.N. | | Deposit date: | 2014-03-27 | | Release date: | 2014-05-21 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | LucY: A Versatile New Fluorescent Reporter Protein.
Plos One, 10, 2015
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5GIF
 | | Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETYL COENZYME *A, Dopamine N-acetyltransferase | | Authors: | Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C. | | Deposit date: | 2016-06-23 | | Release date: | 2017-07-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA
To Be Published
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4Q2G
 | | CRYSTAL STRUCTURE OF AN INTRAMEMBRANE CDP-DAG SYNTHETASE CENTRAL FOR PHOSPHOLIPID BIOSYNTHESIS (S200C/S223C, inactive mutant) | | Descriptor: | MAGNESIUM ION, MERCURY (II) ION, Phosphatidate cytidylyltransferase, ... | | Authors: | Liu, X, Yin, Y, Wu, J, Liu, Z. | | Deposit date: | 2014-04-08 | | Release date: | 2014-07-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure and mechanism of an intramembrane liponucleotide synthetase central for phospholipid biosynthesis
Nat Commun, 5, 2014
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6UEC
 | | Pseudomonas aeruginosa LpxD Complex Structure with Ligand | | Descriptor: | 4-(naphthalen-1-yl)-4-oxobutanoic acid, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | Authors: | Chen, Y, Kroeck, K, Sacco, M. | | Deposit date: | 2019-09-20 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of dual-activity small-molecule ligands of Pseudomonas aeruginosa LpxA and LpxD using SPR and X-ray crystallography.
Sci Rep, 9, 2019
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