2RL1
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3IGR
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![BU of 3igr by Molmil](/molmil-images/mine/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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1TLS
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![BU of 1tls by Molmil](/molmil-images/mine/1tls) | THYMIDYLATE SYNTHASE TERNARY COMPLEX WITH FDUMP AND METHYLENETETRAHYDROFOLATE | Descriptor: | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID, THYMIDYLATE SYNTHASE | Authors: | Hyatt, D.C, Maley, F, Montfort, W.R. | Deposit date: | 1996-12-03 | Release date: | 1997-07-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Use of strain in a stereospecific catalytic mechanism: crystal structures of Escherichia coli thymidylate synthase bound to FdUMP and methylenetetrahydrofolate. Biochemistry, 36, 1997
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4HNW
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![BU of 4hnw by Molmil](/molmil-images/mine/4hnw) | The NatA Acetyltransferase Complex Bound To Inositol Hexakisphosphate | Descriptor: | INOSITOL HEXAKISPHOSPHATE, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1, ... | Authors: | Neubauer, J.L, Immormino, R.M, Dollins, D.E, Endo-Streeter, S.T, Pemble IV, C.W, York, J.D. | Deposit date: | 2012-10-21 | Release date: | 2014-03-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility To be Published
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6A2M
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![BU of 6a2m by Molmil](/molmil-images/mine/6a2m) | Crystal structure of wild type Plasmodium falciparum DHFR-TS complexed with BT2, NADPH, and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-{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 (2.2 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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3A5S
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![BU of 3a5s by Molmil](/molmil-images/mine/3a5s) | Benzalacetone synthase (I207L/L208F) | Descriptor: | Benzalacetone synthase | Authors: | Morita, H, Kato, R, Abe, I, Sugio, S, Kohno, T. | Deposit date: | 2009-08-10 | Release date: | 2010-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structure-based mechanism for benzalacetone synthase from Rheum palmatum Proc.Natl.Acad.Sci.USA, 107, 2010
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6A2K
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![BU of 6a2k by Molmil](/molmil-images/mine/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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1OZP
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![BU of 1ozp by Molmil](/molmil-images/mine/1ozp) | Crystal Structure of Rv0819 from Mycobacterium tuberculosis MshD-Mycothiol Synthase Acetyl-Coenzyme A Complex. | Descriptor: | ACETYL COENZYME *A, hypothetical protein Rv0819 | Authors: | Vetting, M.W, Roderick, S.L, Yu, M, Blanchard, J.S. | Deposit date: | 2003-04-09 | Release date: | 2003-09-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of mycothiol synthase (Rv0819) from Mycobacterium tuberculosis shows structural homology to the GNAT family of N-acetyltransferases. Protein Sci., 12, 2003
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1IXN
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![BU of 1ixn by Molmil](/molmil-images/mine/1ixn) | Enzyme-Substrate Complex of Pyridoxine 5'-Phosphate Synthase | Descriptor: | 1-DEOXY-D-XYLULOSE-5-PHOSPHATE, Pyridoxine 5'-Phosphate Synthase, SN-GLYCEROL-3-PHOSPHATE | Authors: | Garrido-Franco, M, Laber, B, Huber, R, Clausen, T. | Deposit date: | 2002-06-28 | Release date: | 2003-02-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Enzyme-ligand complexes of pyridoxine 5'-phosphate synthase: implications for substrate binding and catalysis J.MOL.BIOL., 321, 2002
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5TXF
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![BU of 5txf by Molmil](/molmil-images/mine/5txf) | Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phosphatidylcholine-sterol acyltransferase, ... | Authors: | Manthei, K.A, Glukhova, A, Tesmer, J.J.G. | Deposit date: | 2016-11-16 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A retractable lid in lecithin:cholesterol acyltransferase provides a structural mechanism for activation by apolipoprotein A-I. J. Biol. Chem., 292, 2017
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6ADD
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![BU of 6add by Molmil](/molmil-images/mine/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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6A7W
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![BU of 6a7w by Molmil](/molmil-images/mine/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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4LPH
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![BU of 4lph by Molmil](/molmil-images/mine/4lph) | Crystal structure of human FPPS in complex with CL03093 | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methyl)phosphonic acid, Farnesyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2013-07-16 | Release date: | 2014-06-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases. J.Med.Chem., 57, 2014
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3A0Y
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![BU of 3a0y by Molmil](/molmil-images/mine/3a0y) | Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic) | Descriptor: | Sensor protein | Authors: | Yamada, S, Sugimoto, H, Kobayashi, M, Ohno, A, Nakamura, H, Shiro, Y. | Deposit date: | 2009-03-25 | Release date: | 2009-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Structure of PAS-linked histidine kinase and the response regulator complex Structure, 17, 2009
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1TLC
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![BU of 1tlc by Molmil](/molmil-images/mine/1tlc) | THYMIDYLATE SYNTHASE COMPLEXED WITH DGMP AND FOLATE ANALOG 1843U89 | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, THYMIDYLATE SYNTHASE | Authors: | Weichsel, A, Montfort, W.R, Ciesla, J, Maley, F. | Deposit date: | 1995-03-07 | Release date: | 1995-06-03 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Promotion of purine nucleotide binding to thymidylate synthase by a potent folate analogue inhibitor, 1843U89. Proc.Natl.Acad.Sci.USA, 92, 1995
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4LRR
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![BU of 4lrr by Molmil](/molmil-images/mine/4lrr) | Ternary complex between E. coli thymidylate synthase, dUMP, and F9 | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-oxo-2H-naphtho[1,8-bc]furan-6-yl 4-nitrobenzoate, SULFATE ION, ... | Authors: | Mangani, S, Pozzi, C, Ferrari, S, Costi, M.P. | Deposit date: | 2013-07-20 | Release date: | 2013-11-06 | Last modified: | 2013-12-11 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | 2'-Deoxyuridine 5'-Monophosphate Substrate Displacement in Thymidylate Synthase through 6-Hydroxy-2H-naphtho[1,8-bc]furan-2-one Derivatives. J.Med.Chem., 56, 2013
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4LS5
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3AE0
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![BU of 3ae0 by Molmil](/molmil-images/mine/3ae0) | Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with geranylgeranyl thiopyrophosphate | Descriptor: | Dehydrosqualene synthase, MAGNESIUM ION, phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | Authors: | Liu, C.I, Jeng, W.Y, Wang, A.H.J, Oldfield, E. | Deposit date: | 2010-01-31 | Release date: | 2010-11-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Mechanism of action and inhibition of dehydrosqualene synthase. Proc.Natl.Acad.Sci.USA, 107, 2010
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6A82
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3ICM
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![BU of 3icm by Molmil](/molmil-images/mine/3icm) | Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with isopentenyl pyrophosphate, Mg2+ and 1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3-phenyl-pyridinium | Descriptor: | 1-(2-hydroxy-2,2-diphosphonoethyl)-3-phenylpyridinium, 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 (2.2 Å) | Cite: | Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
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1TJS
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![BU of 1tjs by Molmil](/molmil-images/mine/1tjs) | E. COLI THYMIDYLATE SYNTHASE | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1997-06-27 | Release date: | 1998-07-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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1TDU
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![BU of 1tdu by Molmil](/molmil-images/mine/1tdu) | E. COLI THYMIDYLATE SYNTHASE IN COMPLEX WITH CB3717 AND 2'-DEOXYURIDINE (DURD) | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE, PHOSPHATE ION, ... | Authors: | Stout, T.J, Sage, C.R, Stroud, R.M. | Deposit date: | 1997-06-25 | Release date: | 1998-07-01 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The additivity of substrate fragments in enzyme-ligand binding. Structure, 6, 1998
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1X08
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![BU of 1x08 by Molmil](/molmil-images/mine/1x08) | Crystal structure of D26A mutant UPPs in complex with Mg, IPP and FsPP | Descriptor: | 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Undecaprenyl pyrophosphate synthetase | Authors: | Guo, R.-T, Ko, T.-P, Chen, A.P.-C, Kuo, C.-J, Wang, A.H.-J, Liang, P.-H. | Deposit date: | 2005-03-15 | Release date: | 2005-03-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of undecaprenyl pyrophosphate synthase in complex with magnesium, isopentenyl pyrophosphate, and farnesyl thiopyrophosphate: roles of the metal ion and conserved residues in catalysis. J.Biol.Chem., 280, 2005
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1TDC
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![BU of 1tdc by Molmil](/molmil-images/mine/1tdc) | STRUCTURES OF THYMIDYLATE SYNTHASE WITH A C-TERMINAL DELETION: ROLE OF THE C-TERMINUS IN ALIGNMENT OF D/UMP AND CH2H4FOLATE | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Perry, K.M, Carreras, C.W, Chang, L.C, Santi, D.V, Stroud, R.M. | Deposit date: | 1993-02-15 | Release date: | 1993-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structures of thymidylate synthase with a C-terminal deletion: role of the C-terminus in alignment of 2'-deoxyuridine 5'-monophosphate and 5,10-methylenetetrahydrofolate. Biochemistry, 32, 1993
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4PVX
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![BU of 4pvx by Molmil](/molmil-images/mine/4pvx) | Crystal structure of human FPPS in complex with [({4-[4-(cyclopropyloxy)phenyl]pyridin-2-yl}amino)methanediyl]bis(phosphonic acid) | Descriptor: | Farnesyl pyrophosphate synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Rodionov, D, Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2014-03-18 | Release date: | 2015-04-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystallographic and thermodynamic characterization of phenylaminopyridine bisphosphonates binding to human farnesyl pyrophosphate synthase. PLoS ONE, 12, 2017
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